1-[acetyl(methyl)amino]-N-cyclohexylcyclohexane-1-carboxamide

C16H28N2O2 — CID 5032169

IUPAC1-[acetyl(methyl)amino]-N-cyclohexylcyclohexane-1-carboxamide
SMILESCC(=O)N(C)C1(C(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C16H28N2O2/c1-13(19)18(2)16(11-7-4-8-12-16)15(20)17-14-9-5-3-6-10-14/h14H,3-12H2,1-2H3,(H,17,20)
InChIKeyKLBZGZZUQVCHAH-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.62
Rot. Bonds3

About 1-[acetyl(methyl)amino]-N-cyclohexylcyclohexane-1-carboxamide

1-[acetyl(methyl)amino]-N-cyclohexylcyclohexane-1-carboxamide (PubChem CID 5032169) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[acetyl(methyl)amino]-N-cyclohexylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[acetyl(methyl)amino]-N-cyclohexylcyclohexane-1-carboxamide
PubChem CID5032169
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-[acetyl(methyl)amino]-N-cyclohexylcyclohexane-1-carboxamide
SMILESCC(=O)N(C)C1(C(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C16H28N2O2/c1-13(19)18(2)16(11-7-4-8-12-16)15(20)17-14-9-5-3-6-10-14/h14H,3-12H2,1-2H3,(H,17,20)
InChIKeyKLBZGZZUQVCHAH-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[acetyl(methyl)amino]-N-cyclohexylcyclohexane-1-carboxamide?
The IUPAC name of 1-[acetyl(methyl)amino]-N-cyclohexylcyclohexane-1-carboxamide (CID 5032169) is 1-[acetyl(methyl)amino]-N-cyclohexylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[acetyl(methyl)amino]-N-cyclohexylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[acetyl(methyl)amino]-N-cyclohexylcyclohexane-1-carboxamide is CC(=O)N(C)C1(C(=O)NC2CCCCC2)CCCCC1.
What is the InChIKey of 1-[acetyl(methyl)amino]-N-cyclohexylcyclohexane-1-carboxamide?
The InChIKey is KLBZGZZUQVCHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-13(19)18(2)16(11-7-4-8-12-16)15(20)17-14-9-5-3-6-10-14/h14H,3-12H2,1-2H3,(H,17,20).
What are the key properties of 1-[acetyl(methyl)amino]-N-cyclohexylcyclohexane-1-carboxamide?
1-[acetyl(methyl)amino]-N-cyclohexylcyclohexane-1-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[acetyl(methyl)amino]-N-cyclohexylcyclohexane-1-carboxamide is sourced from PubChem (CID 5032169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).