1-acetamido-N-(2-methylpropyl)cyclohexane-1-carboxamide

C13H24N2O2 — CID 47345134

IUPAC1-acetamido-N-(2-methylpropyl)cyclohexane-1-carboxamide
SMILESCC(=O)NC1(C(=O)NCC(C)C)CCCCC1
InChIInChI=1S/C13H24N2O2/c1-10(2)9-14-12(17)13(15-11(3)16)7-5-4-6-8-13/h10H,4-9H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyNRRNIANXRNPUTD-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.60
Rot. Bonds4

About 1-acetamido-N-(2-methylpropyl)cyclohexane-1-carboxamide

1-acetamido-N-(2-methylpropyl)cyclohexane-1-carboxamide (PubChem CID 47345134) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-acetamido-N-(2-methylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-acetamido-N-(2-methylpropyl)cyclohexane-1-carboxamide
PubChem CID47345134
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-acetamido-N-(2-methylpropyl)cyclohexane-1-carboxamide
SMILESCC(=O)NC1(C(=O)NCC(C)C)CCCCC1
InChIInChI=1S/C13H24N2O2/c1-10(2)9-14-12(17)13(15-11(3)16)7-5-4-6-8-13/h10H,4-9H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyNRRNIANXRNPUTD-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-(2-methylpropyl)cyclopentane-1-carboxamide
CID 111564462
1-acetamido-N-butan-2-ylcyclohexane-1-carboxamide
CID 47345116
1-hydroxy-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 131043772
1-acetamido-N-(1-aminohexan-2-yl)cyclohexane-1-carboxamide
CID 119665002
N-(2-methylpropyl)-2-[1-[2-(2-methylpropylamino)-2-oxoethyl]cyclopentyl]acetamide
CID 134025352
2-[(1-acetamidocyclopropanecarbonyl)amino]acetic acid
CID 167721509
1-(ethylcarbamoylamino)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide
CID 120830301
1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 76920434
1-acetamido-N-(1-aminohexan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119665001
1-[[3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 69406105
1-(2-methylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095026
N-[1-(2-chloroacetyl)cyclopentyl]acetamide
CID 104701020

Frequently Asked Questions

What is the IUPAC name of 1-acetamido-N-(2-methylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-acetamido-N-(2-methylpropyl)cyclohexane-1-carboxamide (CID 47345134) is 1-acetamido-N-(2-methylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-acetamido-N-(2-methylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-acetamido-N-(2-methylpropyl)cyclohexane-1-carboxamide is CC(=O)NC1(C(=O)NCC(C)C)CCCCC1.
What is the InChIKey of 1-acetamido-N-(2-methylpropyl)cyclohexane-1-carboxamide?
The InChIKey is NRRNIANXRNPUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)9-14-12(17)13(15-11(3)16)7-5-4-6-8-13/h10H,4-9H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 1-acetamido-N-(2-methylpropyl)cyclohexane-1-carboxamide?
1-acetamido-N-(2-methylpropyl)cyclohexane-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-N-(2-methylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 47345134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).