N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide

C21H23N3O3 — CID 141125198

IUPACN-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)N(CC)CC)c2)c1
InChIInChI=1S/C21H23N3O3/c1-4-19(25)22-17-11-7-9-15(13-17)20(26)23-18-12-8-10-16(14-18)21(27)24(5-2)6-3/h4,7-14H,1,5-6H2,2-3H3,(H,22,25)(H,23,26)
InChIKeyXRHHSCVRUNLIHN-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.55
Rot. Bonds7

About N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide

N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide (PubChem CID 141125198) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide
PubChem CID141125198
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)N(CC)CC)c2)c1
InChIInChI=1S/C21H23N3O3/c1-4-19(25)22-17-11-7-9-15(13-17)20(26)23-18-12-8-10-16(14-18)21(27)24(5-2)6-3/h4,7-14H,1,5-6H2,2-3H3,(H,22,25)(H,23,26)
InChIKeyXRHHSCVRUNLIHN-UHFFFAOYSA-N
XLogP3.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)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

N,N-diethyl-3-(prop-2-enoylamino)benzamide
CID 43616413
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
N-ethyl-N-(oxan-4-ylmethyl)-3-(prop-2-enoylamino)benzamide
CID 166410817
N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 17435315
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055870
N,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 55996557
N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 26313396
3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide
CID 55645545
3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106794
N-(4-iodophenyl)-3-(prop-2-enoylamino)benzamide
CID 166287423
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide?
The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide (CID 141125198) is N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)N(CC)CC)c2)c1.
What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide?
The InChIKey is XRHHSCVRUNLIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-4-19(25)22-17-11-7-9-15(13-17)20(26)23-18-12-8-10-16(14-18)21(27)24(5-2)6-3/h4,7-14H,1,5-6H2,2-3H3,(H,22,25)(H,23,26).
What are the key properties of N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide?
N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide has a molecular weight of 365.43 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 141125198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).