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

C14H19N3O2 — CID 116674626

IUPACN-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)C2CNC2)cc1
InChIInChI=1S/C14H19N3O2/c1-9(11-7-15-8-11)14(19)17-13-5-3-12(4-6-13)16-10(2)18/h3-6,9,11,15H,7-8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyKASPDYPEMFOGER-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.44
Rot. Bonds4

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

N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide (PubChem CID 116674626) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide
PubChem CID116674626
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC NameN-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)C2CNC2)cc1
InChIInChI=1S/C14H19N3O2/c1-9(11-7-15-8-11)14(19)17-13-5-3-12(4-6-13)16-10(2)18/h3-6,9,11,15H,7-8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyKASPDYPEMFOGER-UHFFFAOYSA-N
XLogP1.44
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate
CID 116675796
2-(azetidin-3-yl)-N-[4-(propanoylamino)phenyl]propanamide
CID 116675582
2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide
CID 116675538
2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide
CID 116674524
N-(5-acetamido-2-fluorophenyl)-2-(azetidin-3-yl)propanamide
CID 116675124
2-(azetidin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 116675266
2-(azetidin-3-yl)-N-[4-(difluoromethylsulfonyl)phenyl]propanamide
CID 116675283
N-(5-acetamido-2-methoxyphenyl)-2-(azetidin-3-yl)propanamide
CID 116675530
2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 116675831
2-(azetidin-3-yl)-N-[4-(sulfamoylmethyl)phenyl]propanamide
CID 116675714
2-(azetidin-3-yl)-N-[4-(2-methoxyethoxy)phenyl]propanamide
CID 116675843
5-[2-(azetidin-3-yl)propanoylamino]-2-chlorobenzoic acid
CID 116675875

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide (CID 116674626) is N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide is CC(=O)Nc1ccc(NC(=O)C(C)C2CNC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide?
The InChIKey is KASPDYPEMFOGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(11-7-15-8-11)14(19)17-13-5-3-12(4-6-13)16-10(2)18/h3-6,9,11,15H,7-8H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide?
N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide has a molecular weight of 261.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide is sourced from PubChem (CID 116674626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).