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

C19H21NO2 — CID 93486677

IUPAC(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
SMILESCOc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C19H21NO2/c1-14-4-6-16(7-5-14)8-13-19(21)20-15(2)17-9-11-18(22-3)12-10-17/h4-13,15H,1-3H3,(H,20,21)/b13-8+/t15-/m1/s1
InChIKeyUNWRSZWBCIFEOK-XETPBLJFSA-N
MW295.38 g/mol
LogP3.89
Rot. Bonds5

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

(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide (PubChem CID 93486677) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
PubChem CID93486677
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
SMILESCOc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C19H21NO2/c1-14-4-6-16(7-5-14)8-13-19(21)20-15(2)17-9-11-18(22-3)12-10-17/h4-13,15H,1-3H3,(H,20,21)/b13-8+/t15-/m1/s1
InChIKeyUNWRSZWBCIFEOK-XETPBLJFSA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.89
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

(E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 94016154
(E)-3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide
CID 103855852
(E)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 43907234
(E)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 92646063
(E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 898567
(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]prop-2-enamide
CID 28576987
(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 38018786
(E)-3-(4-methoxyphenyl)-N-[1-(4-methylphenoxy)propan-2-yl]prop-2-enamide
CID 132651003
(E)-N-[(1S)-1-(4-methoxyphenyl)ethyl]but-2-enamide
CID 81370657
(E)-N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 9246720
(E)-4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-4-oxobut-2-enoic acid
CID 81359774
methyl 3-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoylamino]-3-(4-methylphenyl)propanoate
CID 55440355

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide (CID 93486677) is (E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide is COc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(C)cc2)cc1.
What is the InChIKey of (E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is UNWRSZWBCIFEOK-XETPBLJFSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14-4-6-16(7-5-14)8-13-19(21)20-15(2)17-9-11-18(22-3)12-10-17/h4-13,15H,1-3H3,(H,20,21)/b13-8+/t15-/m1/s1.
What are the key properties of (E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide?
(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 295.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 93486677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).