1-acetamido-N-butan-2-ylcyclohexane-1-carboxamide

C13H24N2O2 — CID 47345116

IUPAC1-acetamido-N-butan-2-ylcyclohexane-1-carboxamide
SMILESCCC(C)NC(=O)C1(NC(C)=O)CCCCC1
InChIInChI=1S/C13H24N2O2/c1-4-10(2)14-12(17)13(15-11(3)16)8-6-5-7-9-13/h10H,4-9H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyFEWWXVFROGOTON-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.74
Rot. Bonds4

About 1-acetamido-N-butan-2-ylcyclohexane-1-carboxamide

1-acetamido-N-butan-2-ylcyclohexane-1-carboxamide (PubChem CID 47345116) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-acetamido-N-butan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-acetamido-N-butan-2-ylcyclohexane-1-carboxamide
PubChem CID47345116
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-acetamido-N-butan-2-ylcyclohexane-1-carboxamide
SMILESCCC(C)NC(=O)C1(NC(C)=O)CCCCC1
InChIInChI=1S/C13H24N2O2/c1-4-10(2)14-12(17)13(15-11(3)16)8-6-5-7-9-13/h10H,4-9H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyFEWWXVFROGOTON-UHFFFAOYSA-N
XLogP1.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-1-(phenylcarbamoylamino)cyclohexane-1-carboxamide
CID 3221292
1-acetamido-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 47345134
1-acetamido-N-(1-aminohexan-2-yl)cyclohexane-1-carboxamide
CID 119665002
1-acetamido-N-(1-aminohexan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119665001
1-acetamido-N-[(1S)-1-pyridin-4-ylethyl]cyclohexane-1-carboxamide
CID 95231374
1-(butan-2-ylamino)cycloheptane-1-carboxylic acid
CID 61024147
1-(butan-2-ylamino)cyclododecane-1-carboxylic acid
CID 61024396
1-(butan-2-ylamino)cyclohexane-1-carboxylic acid
CID 61024667
N-butan-2-yl-1-fluorocyclobutane-1-carboxamide
CID 130944336
1-(4-acetamidophenyl)-N-[(2R)-butan-2-yl]cyclohexane-1-carboxamide
CID 95086493
N-butan-2-yl-1-cyanocyclobutane-1-carboxamide
CID 78994718
1-acetamido-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 55964151

Frequently Asked Questions

What is the IUPAC name of 1-acetamido-N-butan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-acetamido-N-butan-2-ylcyclohexane-1-carboxamide (CID 47345116) is 1-acetamido-N-butan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-acetamido-N-butan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-acetamido-N-butan-2-ylcyclohexane-1-carboxamide is CCC(C)NC(=O)C1(NC(C)=O)CCCCC1.
What is the InChIKey of 1-acetamido-N-butan-2-ylcyclohexane-1-carboxamide?
The InChIKey is FEWWXVFROGOTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-10(2)14-12(17)13(15-11(3)16)8-6-5-7-9-13/h10H,4-9H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 1-acetamido-N-butan-2-ylcyclohexane-1-carboxamide?
1-acetamido-N-butan-2-ylcyclohexane-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-N-butan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 47345116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).