N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide

C16H28N2O2 — CID 113159492

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide
SMILESCC(=O)N(CC(=O)N1CCCCCC1)C1CCCCC1
InChIInChI=1S/C16H28N2O2/c1-14(19)18(15-9-5-4-6-10-15)13-16(20)17-11-7-2-3-8-12-17/h15H,2-13H2,1H3
InChIKeyMLAPEYICVYQEPR-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.57
Rot. Bonds3

About N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide

N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide (PubChem CID 113159492) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide
PubChem CID113159492
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide
SMILESCC(=O)N(CC(=O)N1CCCCCC1)C1CCCCC1
InChIInChI=1S/C16H28N2O2/c1-14(19)18(15-9-5-4-6-10-15)13-16(20)17-11-7-2-3-8-12-17/h15H,2-13H2,1H3
InChIKeyMLAPEYICVYQEPR-UHFFFAOYSA-N
XLogP2.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 49855131
3-Cyclohexylhexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione
CID 333695
3-Cyclohexyl-7-methylhexahydro-1H-pyridazino[1,2-a][1,2,5]triazepine-1,5(2H)-dione
CID 334621
3-Methyloctahydropyrido[1,2-d][1,4]diazepin-4(5H)-one
CID 421129
2-(azepan-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 53537273
1-(2,6-Dimethylpiperidin-1-yl)-2-(4-ethyl-1,4-diazepan-1-yl)ethanone
CID 53548501
2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 95337344
Xbouqyviwrdwqs-vxgbxaggsa-
CID 21572838
3-Methyloctahydropyrido[1,2-d][1,4]diazepin-5(2h)-one
CID 279670
N-[(1S,2R)-2-[acetyl(methyl)amino]cyclohexyl]-N-methylacetamide
CID 21572839
2-(4-acetyl-1,4-diazepan-1-yl)-N-cyclohexylacetamide
CID 49837972
2-[cyclohexyl(methyl)amino]-N,N-dimethylacetamide
CID 54817471

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide (CID 113159492) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide is CC(=O)N(CC(=O)N1CCCCCC1)C1CCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide?
The InChIKey is MLAPEYICVYQEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-14(19)18(15-9-5-4-6-10-15)13-16(20)17-11-7-2-3-8-12-17/h15H,2-13H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide has a molecular weight of 280.41 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide is sourced from PubChem (CID 113159492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).