(4R)-4-methyl-1-(5-methyl-2-oxohexan-3-yl)cycloheptane-1-carboxamide

C16H29NO2 — CID 147297565

IUPAC(4R)-4-methyl-1-(5-methyl-2-oxohexan-3-yl)cycloheptane-1-carboxamide
SMILESCC(=O)C(CC(C)C)C1(C(N)=O)CCC[C@@H](C)CC1
InChIInChI=1S/C16H29NO2/c1-11(2)10-14(13(4)18)16(15(17)19)8-5-6-12(3)7-9-16/h11-12,14H,5-10H2,1-4H3,(H2,17,19)/t12-,14?,16?/m1/s1
InChIKeyCVKSHDKYLLPKQB-XEBKBJJBSA-N
MW267.41 g/mol
LogP3.31
Rot. Bonds5

About (4R)-4-methyl-1-(5-methyl-2-oxohexan-3-yl)cycloheptane-1-carboxamide

(4R)-4-methyl-1-(5-methyl-2-oxohexan-3-yl)cycloheptane-1-carboxamide (PubChem CID 147297565) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (4R)-4-methyl-1-(5-methyl-2-oxohexan-3-yl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name(4R)-4-methyl-1-(5-methyl-2-oxohexan-3-yl)cycloheptane-1-carboxamide
PubChem CID147297565
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(4R)-4-methyl-1-(5-methyl-2-oxohexan-3-yl)cycloheptane-1-carboxamide
SMILESCC(=O)C(CC(C)C)C1(C(N)=O)CCC[C@@H](C)CC1
InChIInChI=1S/C16H29NO2/c1-11(2)10-14(13(4)18)16(15(17)19)8-5-6-12(3)7-9-16/h11-12,14H,5-10H2,1-4H3,(H2,17,19)/t12-,14?,16?/m1/s1
InChIKeyCVKSHDKYLLPKQB-XEBKBJJBSA-N
XLogP3.31
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
CID 142099877
2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpentanamide
CID 65119829
2-amino-1-methyl-N-(4-methylpentan-2-yl)cyclopentane-1-carboxamide
CID 82763758
1-[3-cyclopropyl-1-(ethylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide
CID 71050551
4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid
CID 79425643
2-(1-hydroxy-4-methylcycloheptyl)propanoic acid
CID 65085394
4-methyl-1-pentan-2-ylcyclohexane-1-carboxylic acid
CID 107889004
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
1,3-dimethylcyclohexane-1-carboxamide
CID 71434485
ethyl 4-methyl-1-(propan-2-ylamino)cycloheptane-1-carboxylate
CID 65084789
1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one
CID 116607171
potassium;hydride;1-propan-2-ylcyclohexane-1-carboxamide
CID 173332130

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-1-(5-methyl-2-oxohexan-3-yl)cycloheptane-1-carboxamide?
The IUPAC name of (4R)-4-methyl-1-(5-methyl-2-oxohexan-3-yl)cycloheptane-1-carboxamide (CID 147297565) is (4R)-4-methyl-1-(5-methyl-2-oxohexan-3-yl)cycloheptane-1-carboxamide.
What is the SMILES notation for (4R)-4-methyl-1-(5-methyl-2-oxohexan-3-yl)cycloheptane-1-carboxamide?
The canonical SMILES for (4R)-4-methyl-1-(5-methyl-2-oxohexan-3-yl)cycloheptane-1-carboxamide is CC(=O)C(CC(C)C)C1(C(N)=O)CCC[C@@H](C)CC1.
What is the InChIKey of (4R)-4-methyl-1-(5-methyl-2-oxohexan-3-yl)cycloheptane-1-carboxamide?
The InChIKey is CVKSHDKYLLPKQB-XEBKBJJBSA-N. The full InChI is InChI=1S/C16H29NO2/c1-11(2)10-14(13(4)18)16(15(17)19)8-5-6-12(3)7-9-16/h11-12,14H,5-10H2,1-4H3,(H2,17,19)/t12-,14?,16?/m1/s1.
What are the key properties of (4R)-4-methyl-1-(5-methyl-2-oxohexan-3-yl)cycloheptane-1-carboxamide?
(4R)-4-methyl-1-(5-methyl-2-oxohexan-3-yl)cycloheptane-1-carboxamide has a molecular weight of 267.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-1-(5-methyl-2-oxohexan-3-yl)cycloheptane-1-carboxamide is sourced from PubChem (CID 147297565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).