(E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide

C19H21NO — CID 126607669

IUPAC(E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide
SMILESCCCN(C(=O)/C=C/c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C19H21NO/c1-3-15-20(18-7-5-4-6-8-18)19(21)14-13-17-11-9-16(2)10-12-17/h4-14H,3,15H2,1-2H3/b14-13+
InChIKeyPOFBCWKHQGRIGL-BUHFOSPRSA-N
MW279.38 g/mol
LogP4.45
Rot. Bonds5

About (E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide

(E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide (PubChem CID 126607669) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide
PubChem CID126607669
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide
SMILESCCCN(C(=O)/C=C/c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C19H21NO/c1-3-15-20(18-7-5-4-6-8-18)19(21)14-13-17-11-9-16(2)10-12-17/h4-14H,3,15H2,1-2H3/b14-13+
InChIKeyPOFBCWKHQGRIGL-BUHFOSPRSA-N
XLogP4.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(4-methylphenyl)-N-phenylprop-2-enamide
CID 917661
(E)-3-(4-chlorophenyl)-N-[2-(N-[(E)-3-(4-chlorophenyl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide
CID 17195945
(E)-N-methyl-3-(4-phenylphenyl)-N-propylprop-2-enamide
CID 18737343
(E)-3-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-N-propylprop-2-enamide
CID 17321061
(E)-3-(3-amino-4-methylphenyl)-N-ethyl-N-phenylprop-2-enamide
CID 39380514
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-ethyl-N-phenylprop-2-enamide
CID 16558543
(E)-N-ethyl-3-(4-hydroxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 84552695
(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one
CID 6175900
(E)-3-(4-methylphenyl)-N-phenyl-N-pyridin-2-ylprop-2-enamide
CID 53234949
3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]prop-2-enoic acid
CID 123339824
(E)-N-(4-methylphenyl)sulfonyl-N-phenyl-3-(4-propoxyphenyl)prop-2-enamide
CID 19212222
ethyl 2-[[(E)-3-phenylprop-2-enoyl]-propylamino]acetate
CID 61008015

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide?
The IUPAC name of (E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide (CID 126607669) is (E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide?
The canonical SMILES for (E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide is CCCN(C(=O)/C=C/c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of (E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide?
The InChIKey is POFBCWKHQGRIGL-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-15-20(18-7-5-4-6-8-18)19(21)14-13-17-11-9-16(2)10-12-17/h4-14H,3,15H2,1-2H3/b14-13+.
What are the key properties of (E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide?
(E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide has a molecular weight of 279.38 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide is sourced from PubChem (CID 126607669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).