2-(azetidin-3-yl)-N-[4-(propanoylamino)phenyl]propanamide

C15H21N3O2 — CID 116675582

IUPAC2-(azetidin-3-yl)-N-[4-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)C(C)C2CNC2)cc1
InChIInChI=1S/C15H21N3O2/c1-3-14(19)17-12-4-6-13(7-5-12)18-15(20)10(2)11-8-16-9-11/h4-7,10-11,16H,3,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZOEDKZJLYMCUDV-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.83
Rot. Bonds5

About 2-(azetidin-3-yl)-N-[4-(propanoylamino)phenyl]propanamide

2-(azetidin-3-yl)-N-[4-(propanoylamino)phenyl]propanamide (PubChem CID 116675582) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[4-(propanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[4-(propanoylamino)phenyl]propanamide
PubChem CID116675582
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(azetidin-3-yl)-N-[4-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)C(C)C2CNC2)cc1
InChIInChI=1S/C15H21N3O2/c1-3-14(19)17-12-4-6-13(7-5-12)18-15(20)10(2)11-8-16-9-11/h4-7,10-11,16H,3,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZOEDKZJLYMCUDV-UHFFFAOYSA-N
XLogP1.83
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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-phenylphenyl)propanamide
CID 116675538
2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide
CID 116674524
2-(azetidin-3-yl)-N-[4-(sulfamoylmethyl)phenyl]propanamide
CID 116675714
2-(azetidin-3-yl)-N-[4-(2-methoxyethoxy)phenyl]propanamide
CID 116675843
2-(azetidin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 116675266
2-(azetidin-3-yl)-N-[4-(difluoromethylsulfonyl)phenyl]propanamide
CID 116675283
2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 116675831
5-[2-(azetidin-3-yl)propanoylamino]-2-chlorobenzoic acid
CID 116675875
2-(azetidin-3-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 116677263
(2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 119296177

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[4-(propanoylamino)phenyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[4-(propanoylamino)phenyl]propanamide (CID 116675582) is 2-(azetidin-3-yl)-N-[4-(propanoylamino)phenyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[4-(propanoylamino)phenyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[4-(propanoylamino)phenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)C(C)C2CNC2)cc1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[4-(propanoylamino)phenyl]propanamide?
The InChIKey is ZOEDKZJLYMCUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-14(19)17-12-4-6-13(7-5-12)18-15(20)10(2)11-8-16-9-11/h4-7,10-11,16H,3,8-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-(azetidin-3-yl)-N-[4-(propanoylamino)phenyl]propanamide?
2-(azetidin-3-yl)-N-[4-(propanoylamino)phenyl]propanamide has a molecular weight of 275.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[4-(propanoylamino)phenyl]propanamide is sourced from PubChem (CID 116675582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).