4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylbenzamide

C20H22N2O2 — CID 17218767

IUPAC4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)/C=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C20H22N2O2/c1-3-14-21-20(24)17-9-11-18(12-10-17)22-19(23)13-8-16-6-4-15(2)5-7-16/h4-13H,3,14H2,1-2H3,(H,21,24)(H,22,23)/b13-8+
InChIKeySKEJVXAWDGZEKG-MDWZMJQESA-N
MW322.41 g/mol
LogP3.79
Rot. Bonds6

About 4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylbenzamide

4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylbenzamide (PubChem CID 17218767) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylbenzamide
PubChem CID17218767
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)/C=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C20H22N2O2/c1-3-14-21-20(24)17-9-11-18(12-10-17)22-19(23)13-8-16-6-4-15(2)5-7-16/h4-13H,3,14H2,1-2H3,(H,21,24)(H,22,23)/b13-8+
InChIKeySKEJVXAWDGZEKG-MDWZMJQESA-N
XLogP3.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
CID 9164572
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
4-(3-methylbut-2-enoylamino)-N-propylbenzamide
CID 47312802
4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylbenzamide
CID 17234449
1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043732
3-(4-methylphenyl)-N-pentylprop-2-enamide
CID 3568321
N-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 4939379
N-[2-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]ethyl]-4-chlorobenzamide
CID 35004982
4-(hexanoylamino)-N-propylbenzamide
CID 17218821
3-(4-methylphenyl)-N-octylprop-2-enamide
CID 4229517
4-[(E)-3-(4-acetamidoanilino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134040656
(E)-3-(4-methylphenyl)-N-octylprop-2-enamide
CID 6042816

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylbenzamide (CID 17218767) is 4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)/C=C/c2ccc(C)cc2)cc1.
What is the InChIKey of 4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylbenzamide?
The InChIKey is SKEJVXAWDGZEKG-MDWZMJQESA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-14-21-20(24)17-9-11-18(12-10-17)22-19(23)13-8-16-6-4-15(2)5-7-16/h4-13H,3,14H2,1-2H3,(H,21,24)(H,22,23)/b13-8+.
What are the key properties of 4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylbenzamide?
4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylbenzamide has a molecular weight of 322.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylbenzamide is sourced from PubChem (CID 17218767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).