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

C23H22N2O2 — CID 28867674

IUPAC(E)-N-(2-amino-4-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(N)c1
InChIInChI=1S/C23H22N2O2/c1-17-7-13-22(21(24)15-17)25-23(26)14-10-18-8-11-20(12-9-18)27-16-19-5-3-2-4-6-19/h2-15H,16,24H2,1H3,(H,25,26)/b14-10+
InChIKeyKCLWDQPWKJQVJU-GXDHUFHOSA-N
MW358.44 g/mol
LogP4.81
Rot. Bonds6

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

(E)-N-(2-amino-4-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide (PubChem CID 28867674) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is (E)-N-(2-amino-4-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-amino-4-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
PubChem CID28867674
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name(E)-N-(2-amino-4-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(N)c1
InChIInChI=1S/C23H22N2O2/c1-17-7-13-22(21(24)15-17)25-23(26)14-10-18-8-11-20(12-9-18)27-16-19-5-3-2-4-6-19/h2-15H,16,24H2,1H3,(H,25,26)/b14-10+
InChIKeyKCLWDQPWKJQVJU-GXDHUFHOSA-N
XLogP4.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 29194971
(E)-N-(2-amino-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 28867709
N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591319
(E)-N-(3-bromo-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 6260873
(E)-N-(3-amino-4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 28867666
4-methyl-N'-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 22831284
(E)-N-[2-(4-methylphenoxy)ethyl]-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 19175905
3-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)carbamothioyl]prop-2-enamide
CID 4947645
(E)-N-(4-methyl-2-phenylmethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 55989935
(4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175340
N-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591323
(E)-1-(2,4-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 7973152

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-amino-4-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-amino-4-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide (CID 28867674) is (E)-N-(2-amino-4-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-amino-4-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-amino-4-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide is Cc1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(N)c1.
What is the InChIKey of (E)-N-(2-amino-4-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The InChIKey is KCLWDQPWKJQVJU-GXDHUFHOSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-17-7-13-22(21(24)15-17)25-23(26)14-10-18-8-11-20(12-9-18)27-16-19-5-3-2-4-6-19/h2-15H,16,24H2,1H3,(H,25,26)/b14-10+.
What are the key properties of (E)-N-(2-amino-4-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
(E)-N-(2-amino-4-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide has a molecular weight of 358.44 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-amino-4-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 28867674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).