(E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide

C18H19NO — CID 898567

IUPAC(E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C18H19NO/c1-14-8-10-16(11-9-14)12-13-18(20)19-15(2)17-6-4-3-5-7-17/h3-13,15H,1-2H3,(H,19,20)/b13-12+/t15-/m0/s1
InChIKeyVSVLFRPQQUCSIR-LHNRBYRGSA-N
MW265.36 g/mol
LogP3.89
Rot. Bonds4

About (E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide

(E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide (PubChem CID 898567) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
PubChem CID898567
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C18H19NO/c1-14-8-10-16(11-9-14)12-13-18(20)19-15(2)17-6-4-3-5-7-17/h3-13,15H,1-2H3,(H,19,20)/b13-12+/t15-/m0/s1
InChIKeyVSVLFRPQQUCSIR-LHNRBYRGSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
(E)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 43907234
(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]prop-2-enamide
CID 28576987
(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 93486677
(E)-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 99947102
(E)-N-[(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 132760659
(E)-N-[(R)-(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 99947103
(Z)-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]but-2-enediamide
CID 98573401
(Z)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide
CID 92898615
(E)-3-(4-chlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]prop-2-enamide
CID 43915668
(E)-3-(3-aminophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]prop-2-enamide
CID 115344734
(E)-3-(3-aminophenyl)-N-(1-phenylethyl)prop-2-enamide
CID 79023784

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide (CID 898567) is (E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide is Cc1ccc(/C=C/C(=O)N[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of (E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide?
The InChIKey is VSVLFRPQQUCSIR-LHNRBYRGSA-N. The full InChI is InChI=1S/C18H19NO/c1-14-8-10-16(11-9-14)12-13-18(20)19-15(2)17-6-4-3-5-7-17/h3-13,15H,1-2H3,(H,19,20)/b13-12+/t15-/m0/s1.
What are the key properties of (E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide?
(E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide has a molecular weight of 265.36 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide is sourced from PubChem (CID 898567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).