N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]benzamide

C18H19N3O2 — CID 54839094

IUPACN-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]benzamide
SMILESC=CCNC(=O)CNc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C18H19N3O2/c1-2-11-19-17(22)13-20-15-9-6-10-16(12-15)21-18(23)14-7-4-3-5-8-14/h2-10,12,20H,1,11,13H2,(H,19,22)(H,21,23)
InChIKeyOBUDHAOUKDEUNZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.65
Rot. Bonds7

About N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]benzamide

N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]benzamide (PubChem CID 54839094) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]benzamide
PubChem CID54839094
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]benzamide
SMILESC=CCNC(=O)CNc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C18H19N3O2/c1-2-11-19-17(22)13-20-15-9-6-10-16(12-15)21-18(23)14-7-4-3-5-8-14/h2-10,12,20H,1,11,13H2,(H,19,22)(H,21,23)
InChIKeyOBUDHAOUKDEUNZ-UHFFFAOYSA-N
XLogP2.65
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-acetamidoanilino)-N-prop-2-enylacetamide
CID 54831608
3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
CID 54842423
2-methyl-N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]propanamide
CID 54831655
N-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide
CID 54840105
N,N-diethyl-3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
CID 54832875
N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839157
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]benzamide
CID 54813402
2-(3-phenylmethoxyanilino)-N-prop-2-enylacetamide
CID 54826667
N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839268
N-[3-[[2-(4-chloroanilino)acetyl]amino]phenyl]benzamide
CID 54810283
N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide
CID 54814514
N-[3-[[2-(3-chloro-4-methylanilino)acetyl]amino]phenyl]benzamide
CID 54816136

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]benzamide (CID 54839094) is N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]benzamide is C=CCNC(=O)CNc1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]benzamide?
The InChIKey is OBUDHAOUKDEUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-11-19-17(22)13-20-15-9-6-10-16(12-15)21-18(23)14-7-4-3-5-8-14/h2-10,12,20H,1,11,13H2,(H,19,22)(H,21,23).
What are the key properties of N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]benzamide?
N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]benzamide has a molecular weight of 309.37 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]benzamide is sourced from PubChem (CID 54839094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).