4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-propan-2-ylbenzamide

C15H21N3O2 — CID 54840232

IUPAC4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-propan-2-ylbenzamide
SMILESC=CCNC(=O)CNc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C15H21N3O2/c1-4-9-16-14(19)10-17-13-7-5-12(6-8-13)15(20)18-11(2)3/h4-8,11,17H,1,9-10H2,2-3H3,(H,16,19)(H,18,20)
InChIKeyNFWYQTZJRDIJGT-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.54
Rot. Bonds7

About 4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-propan-2-ylbenzamide

4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54840232) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-propan-2-ylbenzamide
PubChem CID54840232
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-propan-2-ylbenzamide
SMILESC=CCNC(=O)CNc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C15H21N3O2/c1-4-9-16-14(19)10-17-13-7-5-12(6-8-13)15(20)18-11(2)3/h4-8,11,17H,1,9-10H2,2-3H3,(H,16,19)(H,18,20)
InChIKeyNFWYQTZJRDIJGT-UHFFFAOYSA-N
XLogP1.54
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.54
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

N-butan-2-yl-4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
CID 54834615
4-[[2-(hexadecylamino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840779
4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54840298
4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840266
N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54836484
4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54830400
4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846054
N-butan-2-yl-4-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzamide
CID 54834375
4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54832994
4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride
CID 119740075
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54840386
4-[[2-(4-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54820861

Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-propan-2-ylbenzamide (CID 54840232) is 4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-propan-2-ylbenzamide is C=CCNC(=O)CNc1ccc(C(=O)NC(C)C)cc1.
What is the InChIKey of 4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is NFWYQTZJRDIJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-9-16-14(19)10-17-13-7-5-12(6-8-13)15(20)18-11(2)3/h4-8,11,17H,1,9-10H2,2-3H3,(H,16,19)(H,18,20).
What are the key properties of 4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-propan-2-ylbenzamide?
4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 275.35 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 54840232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).