tris(N-tert-butylacetamide);N-tert-butylbut-3-enamide;N-tert-butyl-2-(methylamino)propanamide;N-tert-butyl-2-phenylacetamide;ethane;furan;methane;pyridine;thiophene

C73H146N8O7S — CID 157059359

IUPACtris(N-tert-butylacetamide);N-tert-butylbut-3-enamide;N-tert-butyl-2-(methylamino)propanamide;N-tert-butyl-2-phenylacetamide;ethane;furan;methane;pyridine;thiophene
SMILESC.C.C=CCC(=O)NC(C)(C)C.CC.CC.CC.CC.CC.CC.CC(=O)NC(C)(C)C.CC(=O)NC(C)(C)C.CC(=O)NC(C)(C)C.CC(C)(C)NC(=O)Cc1ccccc1.CNC(C)C(=O)NC(C)(C)C.c1ccncc1.c1ccoc1.c1ccsc1
InChIInChI=1S/C12H17NO.C8H18N2O.C8H15NO.3C6H13NO.C5H5N.C4H4O.C4H4S.6C2H6.2CH4/c1-12(2,3)13-11(14)9-10-7-5-4-6-8-10;1-6(9-5)7(11)10-8(2,3)4;1-5-6-7(10)9-8(2,3)4;3*1-5(8)7-6(2,3)4;1-2-4-6-5-3-1;2*1-2-4-5-3-1;6*1-2;;/h4-8H,9H2,1-3H3,(H,13,14);6,9H,1-5H3,(H,10,11);5H,1,6H2,2-4H3,(H,9,10);3*1-4H3,(H,7,8);1-5H;2*1-4H;6*1-2H3;2*1H4
InChIKeyABDIYQJYSKYZLH-UHFFFAOYSA-N
MW1280.09 g/mol
LogP18.43
Rot. Bonds6

About tris(N-tert-butylacetamide);N-tert-butylbut-3-enamide;N-tert-butyl-2-(methylamino)propanamide;N-tert-butyl-2-phenylacetamide;ethane;furan;methane;pyridine;thiophene

tris(N-tert-butylacetamide);N-tert-butylbut-3-enamide;N-tert-butyl-2-(methylamino)propanamide;N-tert-butyl-2-phenylacetamide;ethane;furan;methane;pyridine;thiophene (PubChem CID 157059359) has the molecular formula C73H146N8O7S and a molecular weight of 1280.09 g/mol. Its IUPAC name is tris(N-tert-butylacetamide);N-tert-butylbut-3-enamide;N-tert-butyl-2-(methylamino)propanamide;N-tert-butyl-2-phenylacetamide;ethane;furan;methane;pyridine;thiophene.

Molecular Properties

Compound Nametris(N-tert-butylacetamide);N-tert-butylbut-3-enamide;N-tert-butyl-2-(methylamino)propanamide;N-tert-butyl-2-phenylacetamide;ethane;furan;methane;pyridine;thiophene
PubChem CID157059359
Molecular FormulaC73H146N8O7S
Molecular Weight1280.09 g/mol
Exact Mass1279.10
IUPAC Nametris(N-tert-butylacetamide);N-tert-butylbut-3-enamide;N-tert-butyl-2-(methylamino)propanamide;N-tert-butyl-2-phenylacetamide;ethane;furan;methane;pyridine;thiophene
SMILESC.C.C=CCC(=O)NC(C)(C)C.CC.CC.CC.CC.CC.CC.CC(=O)NC(C)(C)C.CC(=O)NC(C)(C)C.CC(=O)NC(C)(C)C.CC(C)(C)NC(=O)Cc1ccccc1.CNC(C)C(=O)NC(C)(C)C.c1ccncc1.c1ccoc1.c1ccsc1
InChIInChI=1S/C12H17NO.C8H18N2O.C8H15NO.3C6H13NO.C5H5N.C4H4O.C4H4S.6C2H6.2CH4/c1-12(2,3)13-11(14)9-10-7-5-4-6-8-10;1-6(9-5)7(11)10-8(2,3)4;1-5-6-7(10)9-8(2,3)4;3*1-5(8)7-6(2,3)4;1-2-4-6-5-3-1;2*1-2-4-5-3-1;6*1-2;;/h4-8H,9H2,1-3H3,(H,13,14);6,9H,1-5H3,(H,10,11);5H,1,6H2,2-4H3,(H,9,10);3*1-4H3,(H,7,8);1-5H;2*1-4H;6*1-2H3;2*1H4
InChIKeyABDIYQJYSKYZLH-UHFFFAOYSA-N
XLogP18.43
TPSA212.66 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001280.09
LogP ≤ 518.43
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze tris(N-tert-butylacetamide);N-tert-butylbut-3-enamide;N-tert-butyl-2-(methylamino)propanamide;N-tert-butyl-2-phenylacetamide;ethane;furan;methane;pyridine;thiophene with MolForge

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Related Compounds

N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-thiophen-2-ylphenyl)furan-2-carboxamide
CID 167098838
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 650746
2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3210865
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-4-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211119
then-2-oyl-Gly-DL-N(Ph(4-OMe))Gly(pyrid-3-yl)-NHcPent
CID 3211135
Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211640
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-4-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211832
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-3-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211853
N-(furan-2-ylmethyl)-2-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3216731
N-[(2R)-1-[[(2S)-1-[[4-(aminomethyl)phenyl]methylamino]-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 71499431
N-[(2R)-1-[[(2S)-1-[[4-(aminomethyl)phenyl]methylamino]-1-oxo-3-pyridin-3-ylpropan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 71499451
N-[(2R)-1-[[(2S)-1-[[4-(aminomethyl)phenyl]methylamino]-1-oxo-3-pyridin-3-ylpropan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]-3-chlorothiophene-2-carboxamide
CID 71499477

Frequently Asked Questions

What is the IUPAC name of tris(N-tert-butylacetamide);N-tert-butylbut-3-enamide;N-tert-butyl-2-(methylamino)propanamide;N-tert-butyl-2-phenylacetamide;ethane;furan;methane;pyridine;thiophene?
The IUPAC name of tris(N-tert-butylacetamide);N-tert-butylbut-3-enamide;N-tert-butyl-2-(methylamino)propanamide;N-tert-butyl-2-phenylacetamide;ethane;furan;methane;pyridine;thiophene (CID 157059359) is tris(N-tert-butylacetamide);N-tert-butylbut-3-enamide;N-tert-butyl-2-(methylamino)propanamide;N-tert-butyl-2-phenylacetamide;ethane;furan;methane;pyridine;thiophene.
What is the SMILES notation for tris(N-tert-butylacetamide);N-tert-butylbut-3-enamide;N-tert-butyl-2-(methylamino)propanamide;N-tert-butyl-2-phenylacetamide;ethane;furan;methane;pyridine;thiophene?
The canonical SMILES for tris(N-tert-butylacetamide);N-tert-butylbut-3-enamide;N-tert-butyl-2-(methylamino)propanamide;N-tert-butyl-2-phenylacetamide;ethane;furan;methane;pyridine;thiophene is C.C.C=CCC(=O)NC(C)(C)C.CC.CC.CC.CC.CC.CC.CC(=O)NC(C)(C)C.CC(=O)NC(C)(C)C.CC(=O)NC(C)(C)C.CC(C)(C)NC(=O)Cc1ccccc1.CNC(C)C(=O)NC(C)(C)C.c1ccncc1.c1ccoc1.c1ccsc1.
What is the InChIKey of tris(N-tert-butylacetamide);N-tert-butylbut-3-enamide;N-tert-butyl-2-(methylamino)propanamide;N-tert-butyl-2-phenylacetamide;ethane;furan;methane;pyridine;thiophene?
The InChIKey is ABDIYQJYSKYZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C8H18N2O.C8H15NO.3C6H13NO.C5H5N.C4H4O.C4H4S.6C2H6.2CH4/c1-12(2,3)13-11(14)9-10-7-5-4-6-8-10;1-6(9-5)7(11)10-8(2,3)4;1-5-6-7(10)9-8(2,3)4;3*1-5(8)7-6(2,3)4;1-2-4-6-5-3-1;2*1-2-4-5-3-1;6*1-2;;/h4-8H,9H2,1-3H3,(H,13,14);6,9H,1-5H3,(H,10,11);5H,1,6H2,2-4H3,(H,9,10);3*1-4H3,(H,7,8);1-5H;2*1-4H;6*1-2H3;2*1H4.
What are the key properties of tris(N-tert-butylacetamide);N-tert-butylbut-3-enamide;N-tert-butyl-2-(methylamino)propanamide;N-tert-butyl-2-phenylacetamide;ethane;furan;methane;pyridine;thiophene?
tris(N-tert-butylacetamide);N-tert-butylbut-3-enamide;N-tert-butyl-2-(methylamino)propanamide;N-tert-butyl-2-phenylacetamide;ethane;furan;methane;pyridine;thiophene has a molecular weight of 1280.09 g/mol, XLogP of 18.43, 6 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tris(N-tert-butylacetamide);N-tert-butylbut-3-enamide;N-tert-butyl-2-(methylamino)propanamide;N-tert-butyl-2-phenylacetamide;ethane;furan;methane;pyridine;thiophene is sourced from PubChem (CID 157059359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).