(E)-3-(4-methoxyphenyl)-2-phenyl-N-[(1R)-1-phenylpropyl]prop-2-enamide

C25H25NO2 — CID 94018955

IUPAC(E)-3-(4-methoxyphenyl)-2-phenyl-N-[(1R)-1-phenylpropyl]prop-2-enamide
SMILESCC[C@@H](NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO2/c1-3-24(21-12-8-5-9-13-21)26-25(27)23(20-10-6-4-7-11-20)18-19-14-16-22(28-2)17-15-19/h4-18,24H,3H2,1-2H3,(H,26,27)/b23-18+/t24-/m1/s1
InChIKeyNLGAWDKGKISCTM-SGXRDAIWSA-N
MW371.48 g/mol
LogP5.50
Rot. Bonds7

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

(E)-3-(4-methoxyphenyl)-2-phenyl-N-[(1R)-1-phenylpropyl]prop-2-enamide (PubChem CID 94018955) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-2-phenyl-N-[(1R)-1-phenylpropyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-2-phenyl-N-[(1R)-1-phenylpropyl]prop-2-enamide
PubChem CID94018955
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name(E)-3-(4-methoxyphenyl)-2-phenyl-N-[(1R)-1-phenylpropyl]prop-2-enamide
SMILESCC[C@@H](NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO2/c1-3-24(21-12-8-5-9-13-21)26-25(27)23(20-10-6-4-7-11-20)18-19-14-16-22(28-2)17-15-19/h4-18,24H,3H2,1-2H3,(H,26,27)/b23-18+/t24-/m1/s1
InChIKeyNLGAWDKGKISCTM-SGXRDAIWSA-N
XLogP5.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2,3-diphenylprop-2-enamide
CID 99959671
(E)-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 28566628
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316446
N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide
CID 43027690
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
(E)-N-(2-ethylhexyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 133244558
(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 2290505
N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775
2-[[(E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 25304573
(E)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 99956117
2-(4-methoxyphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328005
(Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316043

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-2-phenyl-N-[(1R)-1-phenylpropyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-2-phenyl-N-[(1R)-1-phenylpropyl]prop-2-enamide (CID 94018955) is (E)-3-(4-methoxyphenyl)-2-phenyl-N-[(1R)-1-phenylpropyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-2-phenyl-N-[(1R)-1-phenylpropyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-2-phenyl-N-[(1R)-1-phenylpropyl]prop-2-enamide is CC[C@@H](NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-2-phenyl-N-[(1R)-1-phenylpropyl]prop-2-enamide?
The InChIKey is NLGAWDKGKISCTM-SGXRDAIWSA-N. The full InChI is InChI=1S/C25H25NO2/c1-3-24(21-12-8-5-9-13-21)26-25(27)23(20-10-6-4-7-11-20)18-19-14-16-22(28-2)17-15-19/h4-18,24H,3H2,1-2H3,(H,26,27)/b23-18+/t24-/m1/s1.
What are the key properties of (E)-3-(4-methoxyphenyl)-2-phenyl-N-[(1R)-1-phenylpropyl]prop-2-enamide?
(E)-3-(4-methoxyphenyl)-2-phenyl-N-[(1R)-1-phenylpropyl]prop-2-enamide has a molecular weight of 371.48 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-2-phenyl-N-[(1R)-1-phenylpropyl]prop-2-enamide is sourced from PubChem (CID 94018955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).