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

C12H15N3O2 — CID 54842423

IUPAC3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
SMILESC=CCNC(=O)CNc1cccc(C(N)=O)c1
InChIInChI=1S/C12H15N3O2/c1-2-6-14-11(16)8-15-10-5-3-4-9(7-10)12(13)17/h2-5,7,15H,1,6,8H2,(H2,13,17)(H,14,16)
InChIKeyVFBGWBKKOZHQLO-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.50
Rot. Bonds6

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

3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide (PubChem CID 54842423) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
PubChem CID54842423
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
SMILESC=CCNC(=O)CNc1cccc(C(N)=O)c1
InChIInChI=1S/C12H15N3O2/c1-2-6-14-11(16)8-15-10-5-3-4-9(7-10)12(13)17/h2-5,7,15H,1,6,8H2,(H2,13,17)(H,14,16)
InChIKeyVFBGWBKKOZHQLO-UHFFFAOYSA-N
XLogP0.50
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.50
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,N-diethyl-3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
CID 54832875
N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]benzamide
CID 54839094
2-(3-acetamidoanilino)-N-prop-2-enylacetamide
CID 54831608
3-[[2-(carbamoylamino)-2-oxoethyl]amino]benzamide
CID 113218880
2-methyl-N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]propanamide
CID 54831655
2-[3-(2-methylpropoxy)anilino]-N-prop-2-enylacetamide
CID 54823925
2-(3-phenylmethoxyanilino)-N-prop-2-enylacetamide
CID 54826667
2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide
CID 54842453
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide
CID 54842256
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide
CID 54842743
(E)-4-(3-carbamoylanilino)but-2-enoic acid
CID 107808981
4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 46633398

Frequently Asked Questions

What is the IUPAC name of 3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide?
The IUPAC name of 3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide (CID 54842423) is 3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide.
What is the SMILES notation for 3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide?
The canonical SMILES for 3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide is C=CCNC(=O)CNc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide?
The InChIKey is VFBGWBKKOZHQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-6-14-11(16)8-15-10-5-3-4-9(7-10)12(13)17/h2-5,7,15H,1,6,8H2,(H2,13,17)(H,14,16).
What are the key properties of 3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide?
3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide has a molecular weight of 233.27 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide is sourced from PubChem (CID 54842423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).