(E)-3-(3-methoxyphenyl)-N-[(1R)-1-(4-phenylphenyl)ethyl]prop-2-enamide

C24H23NO2 — CID 7948884

IUPAC(E)-3-(3-methoxyphenyl)-N-[(1R)-1-(4-phenylphenyl)ethyl]prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C24H23NO2/c1-18(20-12-14-22(15-13-20)21-8-4-3-5-9-21)25-24(26)16-11-19-7-6-10-23(17-19)27-2/h3-18H,1-2H3,(H,25,26)/b16-11+/t18-/m1/s1
InChIKeyOUMVYUWHVYXUFZ-QIPHDZALSA-N
MW357.45 g/mol
LogP5.25
Rot. Bonds6

About (E)-3-(3-methoxyphenyl)-N-[(1R)-1-(4-phenylphenyl)ethyl]prop-2-enamide

(E)-3-(3-methoxyphenyl)-N-[(1R)-1-(4-phenylphenyl)ethyl]prop-2-enamide (PubChem CID 7948884) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is (E)-3-(3-methoxyphenyl)-N-[(1R)-1-(4-phenylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methoxyphenyl)-N-[(1R)-1-(4-phenylphenyl)ethyl]prop-2-enamide
PubChem CID7948884
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name(E)-3-(3-methoxyphenyl)-N-[(1R)-1-(4-phenylphenyl)ethyl]prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C24H23NO2/c1-18(20-12-14-22(15-13-20)21-8-4-3-5-9-21)25-24(26)16-11-19-7-6-10-23(17-19)27-2/h3-18H,1-2H3,(H,25,26)/b16-11+/t18-/m1/s1
InChIKeyOUMVYUWHVYXUFZ-QIPHDZALSA-N
XLogP5.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-4-methylpentanoic acid
CID 43091753
(E)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 22605662
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
(E)-3-(3-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12632556
(E)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 9330259
(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 93486677
(E)-3-(3-aminophenyl)-N-(1-phenylethyl)prop-2-enamide
CID 79023784
2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-4-phenylbenzoic acid
CID 67344097
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(3-methoxyphenyl)prop-2-enamide
CID 79252669
(Z)-N-[(1S)-1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 97433543
(E)-N-[furan-2-yl(phenyl)methyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 134029277
(E)-3-(3-aminophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]prop-2-enamide
CID 115344734

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxyphenyl)-N-[(1R)-1-(4-phenylphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-methoxyphenyl)-N-[(1R)-1-(4-phenylphenyl)ethyl]prop-2-enamide (CID 7948884) is (E)-3-(3-methoxyphenyl)-N-[(1R)-1-(4-phenylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-methoxyphenyl)-N-[(1R)-1-(4-phenylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-methoxyphenyl)-N-[(1R)-1-(4-phenylphenyl)ethyl]prop-2-enamide is COc1cccc(/C=C/C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of (E)-3-(3-methoxyphenyl)-N-[(1R)-1-(4-phenylphenyl)ethyl]prop-2-enamide?
The InChIKey is OUMVYUWHVYXUFZ-QIPHDZALSA-N. The full InChI is InChI=1S/C24H23NO2/c1-18(20-12-14-22(15-13-20)21-8-4-3-5-9-21)25-24(26)16-11-19-7-6-10-23(17-19)27-2/h3-18H,1-2H3,(H,25,26)/b16-11+/t18-/m1/s1.
What are the key properties of (E)-3-(3-methoxyphenyl)-N-[(1R)-1-(4-phenylphenyl)ethyl]prop-2-enamide?
(E)-3-(3-methoxyphenyl)-N-[(1R)-1-(4-phenylphenyl)ethyl]prop-2-enamide has a molecular weight of 357.45 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxyphenyl)-N-[(1R)-1-(4-phenylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 7948884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).