3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide

C20H21N3O3 — CID 32852031

IUPAC3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C20H21N3O3/c1-14(24)21-17-10-7-15(8-11-17)9-12-19(25)22-18-6-4-5-16(13-18)20(26)23(2)3/h4-13H,1-3H3,(H,21,24)(H,22,25)/b12-9+
InChIKeyHFRXEHQGBVBIFP-FMIVXFBMSA-N
MW351.41 g/mol
LogP3.00
Rot. Bonds5

About 3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide

3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide (PubChem CID 32852031) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
PubChem CID32852031
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C20H21N3O3/c1-14(24)21-17-10-7-15(8-11-17)9-12-19(25)22-18-6-4-5-16(13-18)20(26)23(2)3/h4-13H,1-3H3,(H,21,24)(H,22,25)/b12-9+
InChIKeyHFRXEHQGBVBIFP-FMIVXFBMSA-N
XLogP3.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 29331413
N,N-dimethyl-3-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]benzamide
CID 33159074
methyl 3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]benzoate
CID 34059862
(E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide
CID 35437293
N,N-dimethyl-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 17231938
3-[(4-acetamidobenzoyl)amino]-N,N-dimethylbenzamide
CID 134037398
N-methyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-phenylbenzamide
CID 17227789
3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 32849699
(E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 7741781
N-[3-[(Z)-3-[4-[(Z)-3-(3-acetamidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]acetamide
CID 21159287
4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 7729326
N-(3-acetylphenyl)-3-(4-bromophenyl)prop-2-enamide
CID 896669

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide (CID 32852031) is 3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide is CC(=O)Nc1ccc(/C=C/C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1.
What is the InChIKey of 3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide?
The InChIKey is HFRXEHQGBVBIFP-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14(24)21-17-10-7-15(8-11-17)9-12-19(25)22-18-6-4-5-16(13-18)20(26)23(2)3/h4-13H,1-3H3,(H,21,24)(H,22,25)/b12-9+.
What are the key properties of 3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide?
3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide has a molecular weight of 351.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 32852031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).