2-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-prop-2-enylbenzamide

C21H24N4O3 — CID 32991361

IUPAC2-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NCC(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C21H24N4O3/c1-4-12-22-20(27)17-10-5-6-11-18(17)23-14-19(26)24-16-9-7-8-15(13-16)21(28)25(2)3/h4-11,13,23H,1,12,14H2,2-3H3,(H,22,27)(H,24,26)
InChIKeyOSBDDKWTNRIJOB-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.35
Rot. Bonds8

About 2-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-prop-2-enylbenzamide

2-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-prop-2-enylbenzamide (PubChem CID 32991361) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-prop-2-enylbenzamide
PubChem CID32991361
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NCC(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C21H24N4O3/c1-4-12-22-20(27)17-10-5-6-11-18(17)23-14-19(26)24-16-9-7-8-15(13-16)21(28)25(2)3/h4-11,13,23H,1,12,14H2,2-3H3,(H,22,27)(H,24,26)
InChIKeyOSBDDKWTNRIJOB-UHFFFAOYSA-N
XLogP2.35
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(2-ethoxyanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29458921
2-[[2-[3-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840518
3-[[2-[2-(2,6-dimethylphenoxy)anilino]acetyl]amino]-N,N-dimethylbenzamide
CID 60587775
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 32908676
2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-(4-chlorophenyl)benzamide
CID 18228642
3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54824667
N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54840880
3-(propanoylamino)-N-prop-2-enylbenzamide
CID 47265411
N-benzyl-N-methyl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824668
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29459517
N,N-dimethyl-3-[[2-(2-methyl-5-methylsulfonylanilino)acetyl]amino]benzamide
CID 29471513

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-prop-2-enylbenzamide (CID 32991361) is 2-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NCC(=O)Nc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 2-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-prop-2-enylbenzamide?
The InChIKey is OSBDDKWTNRIJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-4-12-22-20(27)17-10-5-6-11-18(17)23-14-19(26)24-16-9-7-8-15(13-16)21(28)25(2)3/h4-11,13,23H,1,12,14H2,2-3H3,(H,22,27)(H,24,26).
What are the key properties of 2-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-prop-2-enylbenzamide?
2-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-prop-2-enylbenzamide has a molecular weight of 380.45 g/mol, XLogP of 2.35, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 32991361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).