2-(azetidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide

C15H22N2O — CID 64611423

IUPAC2-(azetidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CC1CNC1
InChIInChI=1S/C15H22N2O/c1-12(7-8-13-5-3-2-4-6-13)17-15(18)9-14-10-16-11-14/h2-6,12,14,16H,7-11H2,1H3,(H,17,18)
InChIKeySBYCMWKTBRTCDB-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.73
Rot. Bonds6

About 2-(azetidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide

2-(azetidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 64611423) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide
PubChem CID64611423
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(azetidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CC1CNC1
InChIInChI=1S/C15H22N2O/c1-12(7-8-13-5-3-2-4-6-13)17-15(18)9-14-10-16-11-14/h2-6,12,14,16H,7-11H2,1H3,(H,17,18)
InChIKeySBYCMWKTBRTCDB-UHFFFAOYSA-N
XLogP1.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-morpholin-2-yl-N-(4-phenylbutan-2-yl)acetamide
CID 66428944
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
N-(4-phenylbutan-2-yl)-2-sulfanylacetamide
CID 60650069
2-(azetidin-3-yl)-N-(1-hydroxypropan-2-yl)acetamide
CID 64616757
3-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]sulfanyl-N-(4-phenylbutan-2-yl)propanamide
CID 4172358
2-(azetidin-3-yl)-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide
CID 64618985
2-(azetidin-3-yl)-N-[1-(furan-2-yl)propan-2-yl]acetamide
CID 64617974
4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-N-phenylpiperidine-1-carboxamide
CID 93071884
2-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 4079657
2-(2,3-dihydro-1H-inden-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 86955228

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide (CID 64611423) is 2-(azetidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is SBYCMWKTBRTCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(7-8-13-5-3-2-4-6-13)17-15(18)9-14-10-16-11-14/h2-6,12,14,16H,7-11H2,1H3,(H,17,18).
What are the key properties of 2-(azetidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide?
2-(azetidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 246.35 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 64611423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).