tris(tert-butyl N-propan-2-ylcarbamate);tris(2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide);tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(2-morpholin-4-yl-N-propan-2-ylacetamide)

C132H261F6N21O27 — CID 158935524

IUPACtris(tert-butyl N-propan-2-ylcarbamate);tris(2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide);tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(2-morpholin-4-yl-N-propan-2-ylacetamide)
SMILESCC(C)NC(=O)C(O)C(C)C.CC(C)NC(=O)C(O)C(C)C.CC(C)NC(=O)C(O)C(C)C.CC(C)NC(=O)C(O)C1CC1.CC(C)NC(=O)C(O)C1CC1.CC(C)NC(=O)C(O)C1CC1.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CN1CCOCC1.CC(C)NC(=O)CN1CCOCC1.CC(C)NC(=O)CN1CCOCC1.CC(C)NC(=O)OC(C)(C)C.CC(C)NC(=O)OC(C)(C)C.CC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/3C11H20F2N2O.3C9H18N2O2.3C8H15NO2.6C8H17NO2/c3*1-8(2)14-10(16)6-9-4-5-15(3)7-11(9,12)13;3*1-8(2)10-9(12)7-11-3-5-13-6-4-11;3*1-5(2)9-8(11)7(10)6-3-4-6;3*1-6(2)9-7(10)11-8(3,4)5;3*1-5(2)7(10)8(11)9-6(3)4/h3*8-9H,4-7H2,1-3H3,(H,14,16);3*8H,3-7H2,1-2H3,(H,10,12);3*5-7,10H,3-4H2,1-2H3,(H,9,11);3*6H,1-5H3,(H,9,10);3*5-7,10H,1-4H3,(H,9,11)
InChIKeyJJPDNDOWNMUUFC-UHFFFAOYSA-N
MW2688.65 g/mol
LogP12.18
Rot. Bonds39

About tris(tert-butyl N-propan-2-ylcarbamate);tris(2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide);tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(2-morpholin-4-yl-N-propan-2-ylacetamide)

tris(tert-butyl N-propan-2-ylcarbamate);tris(2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide);tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(2-morpholin-4-yl-N-propan-2-ylacetamide) (PubChem CID 158935524) has the molecular formula C132H261F6N21O27 and a molecular weight of 2688.65 g/mol. Its IUPAC name is tris(tert-butyl N-propan-2-ylcarbamate);tris(2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide);tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(2-morpholin-4-yl-N-propan-2-ylacetamide).

Molecular Properties

Compound Nametris(tert-butyl N-propan-2-ylcarbamate);tris(2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide);tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(2-morpholin-4-yl-N-propan-2-ylacetamide)
PubChem CID158935524
Molecular FormulaC132H261F6N21O27
Molecular Weight2688.65 g/mol
Exact Mass2686.96
IUPAC Nametris(tert-butyl N-propan-2-ylcarbamate);tris(2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide);tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(2-morpholin-4-yl-N-propan-2-ylacetamide)
SMILESCC(C)NC(=O)C(O)C(C)C.CC(C)NC(=O)C(O)C(C)C.CC(C)NC(=O)C(O)C(C)C.CC(C)NC(=O)C(O)C1CC1.CC(C)NC(=O)C(O)C1CC1.CC(C)NC(=O)C(O)C1CC1.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CN1CCOCC1.CC(C)NC(=O)CN1CCOCC1.CC(C)NC(=O)CN1CCOCC1.CC(C)NC(=O)OC(C)(C)C.CC(C)NC(=O)OC(C)(C)C.CC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/3C11H20F2N2O.3C9H18N2O2.3C8H15NO2.6C8H17NO2/c3*1-8(2)14-10(16)6-9-4-5-15(3)7-11(9,12)13;3*1-8(2)10-9(12)7-11-3-5-13-6-4-11;3*1-5(2)9-8(11)7(10)6-3-4-6;3*1-6(2)9-7(10)11-8(3,4)5;3*1-5(2)7(10)8(11)9-6(3)4/h3*8-9H,4-7H2,1-3H3,(H,14,16);3*8H,3-7H2,1-2H3,(H,10,12);3*5-7,10H,3-4H2,1-2H3,(H,9,11);3*6H,1-5H3,(H,9,10);3*5-7,10H,1-4H3,(H,9,11)
InChIKeyJJPDNDOWNMUUFC-UHFFFAOYSA-N
XLogP12.18
TPSA632.70 Ų
H-Bond Donors21
H-Bond Acceptors33
Rotatable Bonds39
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002688.65
LogP ≤ 512.18
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tris(tert-butyl N-propan-2-ylcarbamate);tris(2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide);tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(2-morpholin-4-yl-N-propan-2-ylacetamide) with MolForge

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Related Compounds

tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide
CID 157198358
bis(tert-butyl N-propan-2-ylcarbamate);tris(2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide);tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(2-morpholin-4-yl-N-propan-2-ylacetamide)
CID 157342086
tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;2,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide
CID 158218800
tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);bis(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);2-morpholin-4-yl-N-propan-2-ylacetamide;bis(2-piperidin-1-yl-N-propan-2-ylacetamide)
CID 159653205
tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide
CID 160225104
N-(4-amino-1-propan-2-ylpyrrolidin-3-yl)-3-methylbutanamide;tert-butyl N-[3-[2-(dimethylamino)ethoxy]-1-propan-2-ylpiperidin-4-yl]carbamate;2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide;propan-2-yl N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)carbamate
CID 160365827
2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide;tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-piperidin-1-yl-N-propan-2-ylacetamide)
CID 160703843
tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;3,3,3-trifluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide
CID 161918694

Frequently Asked Questions

What is the IUPAC name of tris(tert-butyl N-propan-2-ylcarbamate);tris(2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide);tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(2-morpholin-4-yl-N-propan-2-ylacetamide)?
The IUPAC name of tris(tert-butyl N-propan-2-ylcarbamate);tris(2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide);tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(2-morpholin-4-yl-N-propan-2-ylacetamide) (CID 158935524) is tris(tert-butyl N-propan-2-ylcarbamate);tris(2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide);tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(2-morpholin-4-yl-N-propan-2-ylacetamide).
What is the SMILES notation for tris(tert-butyl N-propan-2-ylcarbamate);tris(2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide);tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(2-morpholin-4-yl-N-propan-2-ylacetamide)?
The canonical SMILES for tris(tert-butyl N-propan-2-ylcarbamate);tris(2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide);tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(2-morpholin-4-yl-N-propan-2-ylacetamide) is CC(C)NC(=O)C(O)C(C)C.CC(C)NC(=O)C(O)C(C)C.CC(C)NC(=O)C(O)C(C)C.CC(C)NC(=O)C(O)C1CC1.CC(C)NC(=O)C(O)C1CC1.CC(C)NC(=O)C(O)C1CC1.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CN1CCOCC1.CC(C)NC(=O)CN1CCOCC1.CC(C)NC(=O)CN1CCOCC1.CC(C)NC(=O)OC(C)(C)C.CC(C)NC(=O)OC(C)(C)C.CC(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tris(tert-butyl N-propan-2-ylcarbamate);tris(2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide);tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(2-morpholin-4-yl-N-propan-2-ylacetamide)?
The InChIKey is JJPDNDOWNMUUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H20F2N2O.3C9H18N2O2.3C8H15NO2.6C8H17NO2/c3*1-8(2)14-10(16)6-9-4-5-15(3)7-11(9,12)13;3*1-8(2)10-9(12)7-11-3-5-13-6-4-11;3*1-5(2)9-8(11)7(10)6-3-4-6;3*1-6(2)9-7(10)11-8(3,4)5;3*1-5(2)7(10)8(11)9-6(3)4/h3*8-9H,4-7H2,1-3H3,(H,14,16);3*8H,3-7H2,1-2H3,(H,10,12);3*5-7,10H,3-4H2,1-2H3,(H,9,11);3*6H,1-5H3,(H,9,10);3*5-7,10H,1-4H3,(H,9,11).
What are the key properties of tris(tert-butyl N-propan-2-ylcarbamate);tris(2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide);tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(2-morpholin-4-yl-N-propan-2-ylacetamide)?
tris(tert-butyl N-propan-2-ylcarbamate);tris(2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide);tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(2-morpholin-4-yl-N-propan-2-ylacetamide) has a molecular weight of 2688.65 g/mol, XLogP of 12.18, 39 rotatable bonds, 21 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for tris(tert-butyl N-propan-2-ylcarbamate);tris(2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide);tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(2-morpholin-4-yl-N-propan-2-ylacetamide) is sourced from PubChem (CID 158935524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).