2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide

C18H20N2O — CID 116675538

IUPAC2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(-c2ccccc2)cc1)C1CNC1
InChIInChI=1S/C18H20N2O/c1-13(16-11-19-12-16)18(21)20-17-9-7-15(8-10-17)14-5-3-2-4-6-14/h2-10,13,16,19H,11-12H2,1H3,(H,20,21)
InChIKeyOKDNYVAZGQBHSN-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.15
Rot. Bonds4

About 2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide

2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide (PubChem CID 116675538) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide
PubChem CID116675538
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(-c2ccccc2)cc1)C1CNC1
InChIInChI=1S/C18H20N2O/c1-13(16-11-19-12-16)18(21)20-17-9-7-15(8-10-17)14-5-3-2-4-6-14/h2-10,13,16,19H,11-12H2,1H3,(H,20,21)
InChIKeyOKDNYVAZGQBHSN-UHFFFAOYSA-N
XLogP3.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide
CID 116674626
methyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate
CID 116675796
2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 116675831
2-(azetidin-3-yl)-N-[4-(propanoylamino)phenyl]propanamide
CID 116675582
2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide
CID 116674524
2-(azetidin-3-yl)-N-[4-(difluoromethylsulfonyl)phenyl]propanamide
CID 116675283
2-(azetidin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 116675266
5-[2-(azetidin-3-yl)propanoylamino]-2-chlorobenzoic acid
CID 116675875
2-(azetidin-3-yl)-N-[4-(sulfamoylmethyl)phenyl]propanamide
CID 116675714
2-(azetidin-3-yl)-N-(2-iodophenyl)propanamide
CID 116674715
2-(azetidin-3-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 116677263
2-(azetidin-3-yl)-N-naphthalen-1-ylpropanamide
CID 116674289

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide (CID 116675538) is 2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide is CC(C(=O)Nc1ccc(-c2ccccc2)cc1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide?
The InChIKey is OKDNYVAZGQBHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13(16-11-19-12-16)18(21)20-17-9-7-15(8-10-17)14-5-3-2-4-6-14/h2-10,13,16,19H,11-12H2,1H3,(H,20,21).
What are the key properties of 2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide?
2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide has a molecular weight of 280.37 g/mol, XLogP of 3.15, 4 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-phenylphenyl)propanamide is sourced from PubChem (CID 116675538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).