N-tert-butyl-3-cyclobutyl-2-propoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;bis(N-tert-butyl-4,4-dimethyl-2-propoxypentanamide);N-tert-butyl-3-(2-methylcyclopropyl)-2-propoxypropanamide;N-tert-butyl-3-methyl-2-propoxybutanamide

C81H162N6O12 — CID 158585010

IUPACN-tert-butyl-3-cyclobutyl-2-propoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;bis(N-tert-butyl-4,4-dimethyl-2-propoxypentanamide);N-tert-butyl-3-(2-methylcyclopropyl)-2-propoxypropanamide;N-tert-butyl-3-methyl-2-propoxybutanamide
SMILESC=CCOC(C(=O)NC(C)(C)C)C(C)(C)C.CCCOC(C(=O)NC(C)(C)C)C(C)C.CCCOC(CC(C)(C)C)C(=O)NC(C)(C)C.CCCOC(CC(C)(C)C)C(=O)NC(C)(C)C.CCCOC(CC1CC1C)C(=O)NC(C)(C)C.CCCOC(CC1CCC1)C(=O)NC(C)(C)C
InChIInChI=1S/2C14H27NO2.2C14H29NO2.C13H25NO2.C12H25NO2/c1-6-7-17-12(9-11-8-10(11)2)13(16)15-14(3,4)5;1-5-9-17-12(10-11-7-6-8-11)13(16)15-14(2,3)4;2*1-8-9-17-11(10-13(2,3)4)12(16)15-14(5,6)7;1-8-9-16-10(12(2,3)4)11(15)14-13(5,6)7;1-7-8-15-10(9(2)3)11(14)13-12(4,5)6/h10-12H,6-9H2,1-5H3,(H,15,16);11-12H,5-10H2,1-4H3,(H,15,16);2*11H,8-10H2,1-7H3,(H,15,16);8,10H,1,9H2,2-7H3,(H,14,15);9-10H,7-8H2,1-6H3,(H,13,14)
InChIKeyHTSIWLXXVCOIIG-UHFFFAOYSA-N
MW1412.22 g/mol
LogP16.76
Rot. Bonds31

About N-tert-butyl-3-cyclobutyl-2-propoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;bis(N-tert-butyl-4,4-dimethyl-2-propoxypentanamide);N-tert-butyl-3-(2-methylcyclopropyl)-2-propoxypropanamide;N-tert-butyl-3-methyl-2-propoxybutanamide

N-tert-butyl-3-cyclobutyl-2-propoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;bis(N-tert-butyl-4,4-dimethyl-2-propoxypentanamide);N-tert-butyl-3-(2-methylcyclopropyl)-2-propoxypropanamide;N-tert-butyl-3-methyl-2-propoxybutanamide (PubChem CID 158585010) has the molecular formula C81H162N6O12 and a molecular weight of 1412.22 g/mol. Its IUPAC name is N-tert-butyl-3-cyclobutyl-2-propoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;bis(N-tert-butyl-4,4-dimethyl-2-propoxypentanamide);N-tert-butyl-3-(2-methylcyclopropyl)-2-propoxypropanamide;N-tert-butyl-3-methyl-2-propoxybutanamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyclobutyl-2-propoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;bis(N-tert-butyl-4,4-dimethyl-2-propoxypentanamide);N-tert-butyl-3-(2-methylcyclopropyl)-2-propoxypropanamide;N-tert-butyl-3-methyl-2-propoxybutanamide
PubChem CID158585010
Molecular FormulaC81H162N6O12
Molecular Weight1412.22 g/mol
Exact Mass1411.23
IUPAC NameN-tert-butyl-3-cyclobutyl-2-propoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;bis(N-tert-butyl-4,4-dimethyl-2-propoxypentanamide);N-tert-butyl-3-(2-methylcyclopropyl)-2-propoxypropanamide;N-tert-butyl-3-methyl-2-propoxybutanamide
SMILESC=CCOC(C(=O)NC(C)(C)C)C(C)(C)C.CCCOC(C(=O)NC(C)(C)C)C(C)C.CCCOC(CC(C)(C)C)C(=O)NC(C)(C)C.CCCOC(CC(C)(C)C)C(=O)NC(C)(C)C.CCCOC(CC1CC1C)C(=O)NC(C)(C)C.CCCOC(CC1CCC1)C(=O)NC(C)(C)C
InChIInChI=1S/2C14H27NO2.2C14H29NO2.C13H25NO2.C12H25NO2/c1-6-7-17-12(9-11-8-10(11)2)13(16)15-14(3,4)5;1-5-9-17-12(10-11-7-6-8-11)13(16)15-14(2,3)4;2*1-8-9-17-11(10-13(2,3)4)12(16)15-14(5,6)7;1-8-9-16-10(12(2,3)4)11(15)14-13(5,6)7;1-7-8-15-10(9(2)3)11(14)13-12(4,5)6/h10-12H,6-9H2,1-5H3,(H,15,16);11-12H,5-10H2,1-4H3,(H,15,16);2*11H,8-10H2,1-7H3,(H,15,16);8,10H,1,9H2,2-7H3,(H,14,15);9-10H,7-8H2,1-6H3,(H,13,14)
InChIKeyHTSIWLXXVCOIIG-UHFFFAOYSA-N
XLogP16.76
TPSA229.98 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds31
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001412.22
LogP ≤ 516.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-tert-butyl-3-cyclobutyl-2-propoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;bis(N-tert-butyl-4,4-dimethyl-2-propoxypentanamide);N-tert-butyl-3-(2-methylcyclopropyl)-2-propoxypropanamide;N-tert-butyl-3-methyl-2-propoxybutanamide with MolForge

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Related Compounds

N-tert-butyl-3-cyclopentyl-2-prop-2-enoxypropanamide;N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3,3-dimethyl-2-propoxybutanamide;N-tert-butyl-4-methyl-2-prop-2-enoxypent-4-enamide;N-tert-butyl-3-methyl-2-propoxybutanamide
CID 159183921
N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide;N-tert-butyl-3-methyl-2-prop-2-enoxybutanamide
CID 161380208
N-tert-butyl-3-cyclopentyl-2-propoxypropanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide;N-tert-butyl-4-methyl-2-propoxypent-4-enamide
CID 159265248
bis(N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide);N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-4-(3,5-difluorophenyl)-2-[(2-methylcyclopropyl)methyl]butanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide
CID 158369363
N-tert-butyl-2-(cyclopentylmethoxy)-4,4-dimethylpentanamide
CID 20790215
N-tert-butyl-3-cyclopentyl-2-(cyclopentylmethoxy)propanamide
CID 20790258
3-cyclobutyl-N-propan-2-yl-2-prop-2-enoxypropanamide
CID 21366276
N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide;N-tert-butyl-2-propan-2-ylpentanamide;N,2-ditert-butylpentanamide
CID 161398995
N-tert-butyl-3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-3-cyclopentyl-2-[(3,5-difluorophenyl)methoxy]propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)propanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide;N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpent-4-enamide
CID 158568071
2-ethoxy-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide
CID 21366322
3-cyclopropyl-N-ethyl-2-prop-2-enoxypropanamide
CID 89093021
N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide
CID 20790184

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-cyclobutyl-2-propoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;bis(N-tert-butyl-4,4-dimethyl-2-propoxypentanamide);N-tert-butyl-3-(2-methylcyclopropyl)-2-propoxypropanamide;N-tert-butyl-3-methyl-2-propoxybutanamide?
The IUPAC name of N-tert-butyl-3-cyclobutyl-2-propoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;bis(N-tert-butyl-4,4-dimethyl-2-propoxypentanamide);N-tert-butyl-3-(2-methylcyclopropyl)-2-propoxypropanamide;N-tert-butyl-3-methyl-2-propoxybutanamide (CID 158585010) is N-tert-butyl-3-cyclobutyl-2-propoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;bis(N-tert-butyl-4,4-dimethyl-2-propoxypentanamide);N-tert-butyl-3-(2-methylcyclopropyl)-2-propoxypropanamide;N-tert-butyl-3-methyl-2-propoxybutanamide.
What is the SMILES notation for N-tert-butyl-3-cyclobutyl-2-propoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;bis(N-tert-butyl-4,4-dimethyl-2-propoxypentanamide);N-tert-butyl-3-(2-methylcyclopropyl)-2-propoxypropanamide;N-tert-butyl-3-methyl-2-propoxybutanamide?
The canonical SMILES for N-tert-butyl-3-cyclobutyl-2-propoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;bis(N-tert-butyl-4,4-dimethyl-2-propoxypentanamide);N-tert-butyl-3-(2-methylcyclopropyl)-2-propoxypropanamide;N-tert-butyl-3-methyl-2-propoxybutanamide is C=CCOC(C(=O)NC(C)(C)C)C(C)(C)C.CCCOC(C(=O)NC(C)(C)C)C(C)C.CCCOC(CC(C)(C)C)C(=O)NC(C)(C)C.CCCOC(CC(C)(C)C)C(=O)NC(C)(C)C.CCCOC(CC1CC1C)C(=O)NC(C)(C)C.CCCOC(CC1CCC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-cyclobutyl-2-propoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;bis(N-tert-butyl-4,4-dimethyl-2-propoxypentanamide);N-tert-butyl-3-(2-methylcyclopropyl)-2-propoxypropanamide;N-tert-butyl-3-methyl-2-propoxybutanamide?
The InChIKey is HTSIWLXXVCOIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H27NO2.2C14H29NO2.C13H25NO2.C12H25NO2/c1-6-7-17-12(9-11-8-10(11)2)13(16)15-14(3,4)5;1-5-9-17-12(10-11-7-6-8-11)13(16)15-14(2,3)4;2*1-8-9-17-11(10-13(2,3)4)12(16)15-14(5,6)7;1-8-9-16-10(12(2,3)4)11(15)14-13(5,6)7;1-7-8-15-10(9(2)3)11(14)13-12(4,5)6/h10-12H,6-9H2,1-5H3,(H,15,16);11-12H,5-10H2,1-4H3,(H,15,16);2*11H,8-10H2,1-7H3,(H,15,16);8,10H,1,9H2,2-7H3,(H,14,15);9-10H,7-8H2,1-6H3,(H,13,14).
What are the key properties of N-tert-butyl-3-cyclobutyl-2-propoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;bis(N-tert-butyl-4,4-dimethyl-2-propoxypentanamide);N-tert-butyl-3-(2-methylcyclopropyl)-2-propoxypropanamide;N-tert-butyl-3-methyl-2-propoxybutanamide?
N-tert-butyl-3-cyclobutyl-2-propoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;bis(N-tert-butyl-4,4-dimethyl-2-propoxypentanamide);N-tert-butyl-3-(2-methylcyclopropyl)-2-propoxypropanamide;N-tert-butyl-3-methyl-2-propoxybutanamide has a molecular weight of 1412.22 g/mol, XLogP of 16.76, 31 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-cyclobutyl-2-propoxypropanamide;N-tert-butyl-3,3-dimethyl-2-prop-2-enoxybutanamide;bis(N-tert-butyl-4,4-dimethyl-2-propoxypentanamide);N-tert-butyl-3-(2-methylcyclopropyl)-2-propoxypropanamide;N-tert-butyl-3-methyl-2-propoxybutanamide is sourced from PubChem (CID 158585010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).