(E)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide

C21H25NO2 — CID 99996750

IUPAC(E)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCC[C@@H](NC(=O)/C=C/c1ccc(OC)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C21H25NO2/c1-5-20(18-10-6-15(2)16(3)14-18)22-21(23)13-9-17-7-11-19(24-4)12-8-17/h6-14,20H,5H2,1-4H3,(H,22,23)/b13-9+/t20-/m1/s1
InChIKeyXSYHSRYJPHPERO-CWUFLNSKSA-N
MW323.44 g/mol
LogP4.59
Rot. Bonds6

About (E)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 99996750) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (E)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID99996750
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(E)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCC[C@@H](NC(=O)/C=C/c1ccc(OC)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C21H25NO2/c1-5-20(18-10-6-15(2)16(3)14-18)22-21(23)13-9-17-7-11-19(24-4)12-8-17/h6-14,20H,5H2,1-4H3,(H,22,23)/b13-9+/t20-/m1/s1
InChIKeyXSYHSRYJPHPERO-CWUFLNSKSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.59
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)-N-[(1S)-1-(3,4-dimethylphenyl)propyl]-3-(4-fluorophenyl)prop-2-enamide
CID 99996485
(E)-3-(3,5-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)propyl]prop-2-enamide
CID 18090461
(E)-N-[1-(4-methoxy-3-methylphenyl)propyl]-3-phenylprop-2-enamide
CID 133158369
(E)-3-(4-tert-butylphenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]prop-2-enamide
CID 133209856
4-[(E)-3-[1-(4-methoxyphenyl)propylamino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134002714
(E)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide
CID 100701224
(E)-N-[1-(4-methoxyphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide
CID 43916276
(E)-3-(3,5-dimethoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 9091058
N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide
CID 99993947
(E)-N-[1-(4-methoxy-3-methylphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 133161398
(E)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 92646063
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanamide
CID 55908765

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide (CID 99996750) is (E)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide is CC[C@@H](NC(=O)/C=C/c1ccc(OC)cc1)c1ccc(C)c(C)c1.
What is the InChIKey of (E)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is XSYHSRYJPHPERO-CWUFLNSKSA-N. The full InChI is InChI=1S/C21H25NO2/c1-5-20(18-10-6-15(2)16(3)14-18)22-21(23)13-9-17-7-11-19(24-4)12-8-17/h6-14,20H,5H2,1-4H3,(H,22,23)/b13-9+/t20-/m1/s1.
What are the key properties of (E)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 323.44 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 99996750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).