N-(2-oxoazepan-3-yl)-3-(oxolan-2-yl)propanamide

C13H22N2O3 — CID 47031038

IUPACN-(2-oxoazepan-3-yl)-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)NC1CCCCNC1=O
InChIInChI=1S/C13H22N2O3/c16-12(7-6-10-4-3-9-18-10)15-11-5-1-2-8-14-13(11)17/h10-11H,1-9H2,(H,14,17)(H,15,16)
InChIKeyKERZDKZTVDYLNP-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.73
Rot. Bonds4

About N-(2-oxoazepan-3-yl)-3-(oxolan-2-yl)propanamide

N-(2-oxoazepan-3-yl)-3-(oxolan-2-yl)propanamide (PubChem CID 47031038) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)-3-(oxolan-2-yl)propanamide
PubChem CID47031038
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-(2-oxoazepan-3-yl)-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)NC1CCCCNC1=O
InChIInChI=1S/C13H22N2O3/c16-12(7-6-10-4-3-9-18-10)15-11-5-1-2-8-14-13(11)17/h10-11H,1-9H2,(H,14,17)(H,15,16)
InChIKeyKERZDKZTVDYLNP-UHFFFAOYSA-N
XLogP0.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-2-oxoazepan-3-yl]-2-[[(2R)-oxolan-2-yl]methylsulfonyl]acetamide
CID 95126849
4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772
N-[(3S)-2-oxoazepan-3-yl]octadecanamide
CID 11246417
6-amino-N-(2-oxoazepan-3-yl)hexanamide
CID 43704092
N-(2-oxopiperidin-3-yl)butanamide
CID 62054699
N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide
CID 107027904
N-(4-oxocyclohexyl)-3-(oxolan-2-yl)propanamide
CID 65155572
3-(oxan-2-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119386884
4-(oxolan-2-ylmethoxy)-N-(2-oxopiperidin-3-yl)benzamide
CID 51099333
N-(2-oxoazepan-3-yl)-4-pyrrol-1-ylbutanamide
CID 84599618
2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]sulfanylacetic acid
CID 2813122
N-(4-methylcyclohexyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 51728648

Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(2-oxoazepan-3-yl)-3-(oxolan-2-yl)propanamide (CID 47031038) is N-(2-oxoazepan-3-yl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)-3-(oxolan-2-yl)propanamide is O=C(CCC1CCCO1)NC1CCCCNC1=O.
What is the InChIKey of N-(2-oxoazepan-3-yl)-3-(oxolan-2-yl)propanamide?
The InChIKey is KERZDKZTVDYLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12(7-6-10-4-3-9-18-10)15-11-5-1-2-8-14-13(11)17/h10-11H,1-9H2,(H,14,17)(H,15,16).
What are the key properties of N-(2-oxoazepan-3-yl)-3-(oxolan-2-yl)propanamide?
N-(2-oxoazepan-3-yl)-3-(oxolan-2-yl)propanamide has a molecular weight of 254.33 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 47031038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).