4-(3-methylbutanoyl)-N-propan-2-ylcyclohexane-1-carboxamide

C15H27NO2 — CID 58038974

IUPAC4-(3-methylbutanoyl)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)CC(=O)C1CCC(C(=O)NC(C)C)CC1
InChIInChI=1S/C15H27NO2/c1-10(2)9-14(17)12-5-7-13(8-6-12)15(18)16-11(3)4/h10-13H,5-9H2,1-4H3,(H,16,18)
InChIKeyUIPRWRCTQNATFB-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.93
Rot. Bonds5

About 4-(3-methylbutanoyl)-N-propan-2-ylcyclohexane-1-carboxamide

4-(3-methylbutanoyl)-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 58038974) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-(3-methylbutanoyl)-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(3-methylbutanoyl)-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID58038974
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name4-(3-methylbutanoyl)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)CC(=O)C1CCC(C(=O)NC(C)C)CC1
InChIInChI=1S/C15H27NO2/c1-10(2)9-14(17)12-5-7-13(8-6-12)15(18)16-11(3)4/h10-13H,5-9H2,1-4H3,(H,16,18)
InChIKeyUIPRWRCTQNATFB-UHFFFAOYSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-methylbutan-1-one
CID 4144247
1-(4,4-difluorocyclohexyl)-3-methylbutan-1-one
CID 105077543
1-(4-ethylcyclohexyl)-3-methylbutan-1-one
CID 64773765
molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide
CID 165395427
N-propan-2-ylpiperidin-1-ium-4-carboxamide
CID 7303409
N-(4-methylpentan-2-yl)cyclopropanecarboxamide
CID 64592829
3-methyl-1-(thian-4-yl)butan-1-one
CID 82405633
3-methyl-1-(oxan-4-yl)butan-1-one
CID 63935044
N-propan-2-yl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109144455
1-(3,3-difluorocyclohexyl)-3-methylbutan-1-one
CID 130484741
N-(2,4-dimethylpentan-3-yl)cyclopropanecarboxamide
CID 100609902
N-pentan-2-ylcyclopropanecarboxamide
CID 43889322

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutanoyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-(3-methylbutanoyl)-N-propan-2-ylcyclohexane-1-carboxamide (CID 58038974) is 4-(3-methylbutanoyl)-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(3-methylbutanoyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(3-methylbutanoyl)-N-propan-2-ylcyclohexane-1-carboxamide is CC(C)CC(=O)C1CCC(C(=O)NC(C)C)CC1.
What is the InChIKey of 4-(3-methylbutanoyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is UIPRWRCTQNATFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-10(2)9-14(17)12-5-7-13(8-6-12)15(18)16-11(3)4/h10-13H,5-9H2,1-4H3,(H,16,18).
What are the key properties of 4-(3-methylbutanoyl)-N-propan-2-ylcyclohexane-1-carboxamide?
4-(3-methylbutanoyl)-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutanoyl)-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 58038974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).