(E)-N-(3-chloro-4-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide

C24H22ClNO3 — CID 51057812

IUPAC(E)-N-(3-chloro-4-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)c1OCc1ccccc1
InChIInChI=1S/C24H22ClNO3/c1-17-11-13-20(15-21(17)25)26-23(27)14-12-19-9-6-10-22(28-2)24(19)29-16-18-7-4-3-5-8-18/h3-15H,16H2,1-2H3,(H,26,27)/b14-12+
InChIKeyZTTQUSYVOYBGSJ-WYMLVPIESA-N
MW407.90 g/mol
LogP5.89
Rot. Bonds7

About (E)-N-(3-chloro-4-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide

(E)-N-(3-chloro-4-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide (PubChem CID 51057812) has the molecular formula C24H22ClNO3 and a molecular weight of 407.90 g/mol. Its IUPAC name is (E)-N-(3-chloro-4-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chloro-4-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
PubChem CID51057812
Molecular FormulaC24H22ClNO3
Molecular Weight407.90 g/mol
Exact Mass407.13
IUPAC Name(E)-N-(3-chloro-4-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)c1OCc1ccccc1
InChIInChI=1S/C24H22ClNO3/c1-17-11-13-20(15-21(17)25)26-23(27)14-12-19-9-6-10-22(28-2)24(19)29-16-18-7-4-3-5-8-18/h3-15H,16H2,1-2H3,(H,26,27)/b14-12+
InChIKeyZTTQUSYVOYBGSJ-WYMLVPIESA-N
XLogP5.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.90
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-chlorophenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057801
(E)-N-(2-methoxy-5-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057815
(Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 92949912
(E)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 6239949
(E)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,5-dimethylphenyl)prop-2-enamide
CID 51058119
(E)-N-(3-chloro-4-methoxyphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2590853
(E)-N-(2-chloro-6-methylphenyl)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 51058123
5-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylbenzoic acid
CID 17297353
(E)-N-cyclohexyl-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057820
(E)-1-(2-hydroxyphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 15887381
(E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2665177
(E)-N-benzyl-3-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 51058036

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chloro-4-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-chloro-4-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide (CID 51057812) is (E)-N-(3-chloro-4-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-chloro-4-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-chloro-4-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)c1OCc1ccccc1.
What is the InChIKey of (E)-N-(3-chloro-4-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide?
The InChIKey is ZTTQUSYVOYBGSJ-WYMLVPIESA-N. The full InChI is InChI=1S/C24H22ClNO3/c1-17-11-13-20(15-21(17)25)26-23(27)14-12-19-9-6-10-22(28-2)24(19)29-16-18-7-4-3-5-8-18/h3-15H,16H2,1-2H3,(H,26,27)/b14-12+.
What are the key properties of (E)-N-(3-chloro-4-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide?
(E)-N-(3-chloro-4-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide has a molecular weight of 407.90 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chloro-4-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 51057812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).