N-cyclopropyl-2-[[2-(prop-2-enylamino)acetyl]amino]benzamide

C15H19N3O2 — CID 78908313

IUPACN-cyclopropyl-2-[[2-(prop-2-enylamino)acetyl]amino]benzamide
SMILESC=CCNCC(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C15H19N3O2/c1-2-9-16-10-14(19)18-13-6-4-3-5-12(13)15(20)17-11-7-8-11/h2-6,11,16H,1,7-10H2,(H,17,20)(H,18,19)
InChIKeyGHVDFEYHJAEOBD-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.29
Rot. Bonds7

About N-cyclopropyl-2-[[2-(prop-2-enylamino)acetyl]amino]benzamide

N-cyclopropyl-2-[[2-(prop-2-enylamino)acetyl]amino]benzamide (PubChem CID 78908313) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-(prop-2-enylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-(prop-2-enylamino)acetyl]amino]benzamide
PubChem CID78908313
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-cyclopropyl-2-[[2-(prop-2-enylamino)acetyl]amino]benzamide
SMILESC=CCNCC(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C15H19N3O2/c1-2-9-16-10-14(19)18-13-6-4-3-5-12(13)15(20)17-11-7-8-11/h2-6,11,16H,1,7-10H2,(H,17,20)(H,18,19)
InChIKeyGHVDFEYHJAEOBD-UHFFFAOYSA-N
XLogP1.29
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-2-[[2-(prop-2-enylamino)acetyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide
CID 28563439
2-[(2-cyclohexylacetyl)amino]-N-cyclopropylbenzamide
CID 34280929
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
N-cyclopropyl-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]benzamide
CID 24614903
N-cyclopropyl-2-[[2-(2,5-dimethylanilino)acetyl]amino]benzamide
CID 17498144
N-cyclopropyl-2-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide
CID 8897970
2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide
CID 54818353
2-[[2-(4-carbamoylanilino)acetyl]amino]-N-cyclopropylbenzamide
CID 78793094
2-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]acetic acid
CID 60662463
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
N-[2-(hydroxymethyl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285478

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-(prop-2-enylamino)acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-(prop-2-enylamino)acetyl]amino]benzamide (CID 78908313) is N-cyclopropyl-2-[[2-(prop-2-enylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-(prop-2-enylamino)acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-(prop-2-enylamino)acetyl]amino]benzamide is C=CCNCC(=O)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-(prop-2-enylamino)acetyl]amino]benzamide?
The InChIKey is GHVDFEYHJAEOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-9-16-10-14(19)18-13-6-4-3-5-12(13)15(20)17-11-7-8-11/h2-6,11,16H,1,7-10H2,(H,17,20)(H,18,19).
What are the key properties of N-cyclopropyl-2-[[2-(prop-2-enylamino)acetyl]amino]benzamide?
N-cyclopropyl-2-[[2-(prop-2-enylamino)acetyl]amino]benzamide has a molecular weight of 273.34 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-(prop-2-enylamino)acetyl]amino]benzamide is sourced from PubChem (CID 78908313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).