(E)-N-[1-(4-methoxy-3-methylphenyl)propyl]-3-phenylprop-2-enamide

C20H23NO2 — CID 133158369

IUPAC(E)-N-[1-(4-methoxy-3-methylphenyl)propyl]-3-phenylprop-2-enamide
SMILESCCC(NC(=O)/C=C/c1ccccc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C20H23NO2/c1-4-18(17-11-12-19(23-3)15(2)14-17)21-20(22)13-10-16-8-6-5-7-9-16/h5-14,18H,4H2,1-3H3,(H,21,22)/b13-10+
InChIKeyRGMCEJREQBWQSF-JLHYYAGUSA-N
MW309.41 g/mol
LogP4.28
Rot. Bonds6

About (E)-N-[1-(4-methoxy-3-methylphenyl)propyl]-3-phenylprop-2-enamide

(E)-N-[1-(4-methoxy-3-methylphenyl)propyl]-3-phenylprop-2-enamide (PubChem CID 133158369) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (E)-N-[1-(4-methoxy-3-methylphenyl)propyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(4-methoxy-3-methylphenyl)propyl]-3-phenylprop-2-enamide
PubChem CID133158369
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(E)-N-[1-(4-methoxy-3-methylphenyl)propyl]-3-phenylprop-2-enamide
SMILESCCC(NC(=O)/C=C/c1ccccc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C20H23NO2/c1-4-18(17-11-12-19(23-3)15(2)14-17)21-20(22)13-10-16-8-6-5-7-9-16/h5-14,18H,4H2,1-3H3,(H,21,22)/b13-10+
InChIKeyRGMCEJREQBWQSF-JLHYYAGUSA-N
XLogP4.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.28
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-tert-butylphenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]prop-2-enamide
CID 133209856
(E)-N-[1-(4-methoxy-3-methylphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 133161398
(E)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide
CID 100701224
(E)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 99996750
(E)-N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 132653574
(E)-N-[(1S)-1-(3,4-dimethylphenyl)propyl]-3-(4-fluorophenyl)prop-2-enamide
CID 99996485
[(2S)-2-(3,4-dimethylphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl] (E)-3-phenylprop-2-enoate
CID 160591430
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 133160157
(E)-N-[1-(4-methylphenyl)propyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 55338673
2-benzylsulfanyl-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 133200276
(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 9297337
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100517764

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-methoxy-3-methylphenyl)propyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[1-(4-methoxy-3-methylphenyl)propyl]-3-phenylprop-2-enamide (CID 133158369) is (E)-N-[1-(4-methoxy-3-methylphenyl)propyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-(4-methoxy-3-methylphenyl)propyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[1-(4-methoxy-3-methylphenyl)propyl]-3-phenylprop-2-enamide is CCC(NC(=O)/C=C/c1ccccc1)c1ccc(OC)c(C)c1.
What is the InChIKey of (E)-N-[1-(4-methoxy-3-methylphenyl)propyl]-3-phenylprop-2-enamide?
The InChIKey is RGMCEJREQBWQSF-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H23NO2/c1-4-18(17-11-12-19(23-3)15(2)14-17)21-20(22)13-10-16-8-6-5-7-9-16/h5-14,18H,4H2,1-3H3,(H,21,22)/b13-10+.
What are the key properties of (E)-N-[1-(4-methoxy-3-methylphenyl)propyl]-3-phenylprop-2-enamide?
(E)-N-[1-(4-methoxy-3-methylphenyl)propyl]-3-phenylprop-2-enamide has a molecular weight of 309.41 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(4-methoxy-3-methylphenyl)propyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 133158369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).