N-(5-acetamido-2-methylphenyl)-2-(azetidin-3-ylidene)propanamide

C15H19N3O2 — CID 116675089

IUPACN-(5-acetamido-2-methylphenyl)-2-(azetidin-3-ylidene)propanamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)C(C)=C2CNC2)c1
InChIInChI=1S/C15H19N3O2/c1-9-4-5-13(17-11(3)19)6-14(9)18-15(20)10(2)12-7-16-8-12/h4-6,16H,7-8H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyMIKBISGKZNMXQW-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.81
Rot. Bonds3

About N-(5-acetamido-2-methylphenyl)-2-(azetidin-3-ylidene)propanamide

N-(5-acetamido-2-methylphenyl)-2-(azetidin-3-ylidene)propanamide (PubChem CID 116675089) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-2-(azetidin-3-ylidene)propanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-2-(azetidin-3-ylidene)propanamide
PubChem CID116675089
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(5-acetamido-2-methylphenyl)-2-(azetidin-3-ylidene)propanamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)C(C)=C2CNC2)c1
InChIInChI=1S/C15H19N3O2/c1-9-4-5-13(17-11(3)19)6-14(9)18-15(20)10(2)12-7-16-8-12/h4-6,16H,7-8H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyMIKBISGKZNMXQW-UHFFFAOYSA-N
XLogP1.81
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-3-ylidene)-N-[3-(dimethylamino)-4-methylphenyl]propanamide
CID 116678635
2-(azetidin-3-ylidene)-N-(4-iodo-2-methylphenyl)propanamide
CID 116675540
2-(azetidin-3-ylidene)-N-(3-methylphenyl)propanamide
CID 116674576
2-(azetidin-3-ylidene)-N-[4-(dimethylamino)phenyl]propanamide
CID 116675007
2-(azetidin-3-ylidene)-N-(3-bromo-4-methoxyphenyl)propanamide
CID 116678229
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide
CID 60764705
N-(5-acetamido-2-methylphenyl)-2-chloropropanamide
CID 43696197
N-(3-acetamido-4-methylphenyl)-2-(azetidin-3-yl)acetamide
CID 64618777
N-(3-acetamido-4-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121630
2-(azetidin-3-ylidene)-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 116678876
N-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434723

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-2-(azetidin-3-ylidene)propanamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-2-(azetidin-3-ylidene)propanamide (CID 116675089) is N-(5-acetamido-2-methylphenyl)-2-(azetidin-3-ylidene)propanamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-2-(azetidin-3-ylidene)propanamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-2-(azetidin-3-ylidene)propanamide is CC(=O)Nc1ccc(C)c(NC(=O)C(C)=C2CNC2)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-2-(azetidin-3-ylidene)propanamide?
The InChIKey is MIKBISGKZNMXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9-4-5-13(17-11(3)19)6-14(9)18-15(20)10(2)12-7-16-8-12/h4-6,16H,7-8H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-(5-acetamido-2-methylphenyl)-2-(azetidin-3-ylidene)propanamide?
N-(5-acetamido-2-methylphenyl)-2-(azetidin-3-ylidene)propanamide has a molecular weight of 273.34 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-2-(azetidin-3-ylidene)propanamide is sourced from PubChem (CID 116675089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).