N-decyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C21H41NO — CID 154148941

IUPACN-decyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCCCCCCCCCCNC(=O)C1CC(C)CCC1C(C)C
InChIInChI=1S/C21H41NO/c1-5-6-7-8-9-10-11-12-15-22-21(23)20-16-18(4)13-14-19(20)17(2)3/h17-20H,5-16H2,1-4H3,(H,22,23)
InChIKeyRTHPMIOBWYBLIH-UHFFFAOYSA-N
MW323.57 g/mol
LogP5.95
Rot. Bonds11

About N-decyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

N-decyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 154148941) has the molecular formula C21H41NO and a molecular weight of 323.57 g/mol. Its IUPAC name is N-decyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-decyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID154148941
Molecular FormulaC21H41NO
Molecular Weight323.57 g/mol
Exact Mass323.32
IUPAC NameN-decyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCCCCCCCCCCNC(=O)C1CC(C)CCC1C(C)C
InChIInChI=1S/C21H41NO/c1-5-6-7-8-9-10-11-12-15-22-21(23)20-16-18(4)13-14-19(20)17(2)3/h17-20H,5-16H2,1-4H3,(H,22,23)
InChIKeyRTHPMIOBWYBLIH-UHFFFAOYSA-N
XLogP5.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.57
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(6-aminohexyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 140775988
(1R,2S,5R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 7168187
trans-(1R,2S)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 89464561
(1R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 90384157
N-[2-[(2-aminoacetyl)amino]ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 140775965
(5-methyl-2-propan-2-ylcyclohexyl) N-octylcarbamate
CID 91726626
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-pentylcarbamate
CID 58715353
(1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 58330084
5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 68625601
(2S)-N-[2-(hexadecanoylamino)-2-phenylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 129071076
ethyl (2S)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
CID 142760008
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079958

Frequently Asked Questions

What is the IUPAC name of N-decyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-decyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 154148941) is N-decyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-decyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-decyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CCCCCCCCCCNC(=O)C1CC(C)CCC1C(C)C.
What is the InChIKey of N-decyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is RTHPMIOBWYBLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO/c1-5-6-7-8-9-10-11-12-15-22-21(23)20-16-18(4)13-14-19(20)17(2)3/h17-20H,5-16H2,1-4H3,(H,22,23).
What are the key properties of N-decyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
N-decyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 323.57 g/mol, XLogP of 5.95, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 154148941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).