4-(2-oxoazepan-1-yl)butanamide

C10H18N2O2 — CID 90945049

IUPAC4-(2-oxoazepan-1-yl)butanamide
SMILESNC(=O)CCCN1CCCCCC1=O
InChIInChI=1S/C10H18N2O2/c11-9(13)5-4-8-12-7-3-1-2-6-10(12)14/h1-8H2,(H2,11,13)
InChIKeyCLGOKPJJNKTVDR-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.65
Rot. Bonds4

About 4-(2-oxoazepan-1-yl)butanamide

4-(2-oxoazepan-1-yl)butanamide (PubChem CID 90945049) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-(2-oxoazepan-1-yl)butanamide.

Molecular Properties

Compound Name4-(2-oxoazepan-1-yl)butanamide
PubChem CID90945049
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-(2-oxoazepan-1-yl)butanamide
SMILESNC(=O)CCCN1CCCCCC1=O
InChIInChI=1S/C10H18N2O2/c11-9(13)5-4-8-12-7-3-1-2-6-10(12)14/h1-8H2,(H2,11,13)
InChIKeyCLGOKPJJNKTVDR-UHFFFAOYSA-N
XLogP0.65
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-oxopiperidin-1-yl)butanoic acid
CID 12842029
1-(4-hydroxybutyl)azepan-2-one
CID 43509760
4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide
CID 139517074
1-(6-bromohexyl)azepan-2-one
CID 71348361
1-(3-chloropropyl)azepan-2-one
CID 14811847
1-[3-[4-(2-oxopiperidin-1-yl)butoxy]propyl]azepan-2-one
CID 67613855
1-[4-[4-(2-oxoazepan-1-yl)butoxy]butyl]azepan-2-one;1-[3-[3-(2-oxoazepan-1-yl)propoxy]propyl]azepan-2-one;1-[4-[4-(2-oxopiperidin-1-yl)butoxy]butyl]piperidin-2-one
CID 159014559
1-[3-[3-(2-oxopiperidin-1-yl)propoxy]propyl]azepan-2-one
CID 67617562
1-[3-[4-(2-oxopyrrolidin-1-yl)butoxy]propyl]azepan-2-one
CID 67617639
ethyl 3-(2-oxoazepan-1-yl)propanoate
CID 14922094
5-(2-oxopiperidin-1-yl)pentanenitrile
CID 11412726
2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 54592450

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxoazepan-1-yl)butanamide?
The IUPAC name of 4-(2-oxoazepan-1-yl)butanamide (CID 90945049) is 4-(2-oxoazepan-1-yl)butanamide.
What is the SMILES notation for 4-(2-oxoazepan-1-yl)butanamide?
The canonical SMILES for 4-(2-oxoazepan-1-yl)butanamide is NC(=O)CCCN1CCCCCC1=O.
What is the InChIKey of 4-(2-oxoazepan-1-yl)butanamide?
The InChIKey is CLGOKPJJNKTVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-9(13)5-4-8-12-7-3-1-2-6-10(12)14/h1-8H2,(H2,11,13).
What are the key properties of 4-(2-oxoazepan-1-yl)butanamide?
4-(2-oxoazepan-1-yl)butanamide has a molecular weight of 198.27 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxoazepan-1-yl)butanamide is sourced from PubChem (CID 90945049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).