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

C21H26N2O2 — CID 142190221

IUPAC(E)-N-[1-[3-(dimethylamino)-4-methoxyphenyl]ethyl]-3-(3-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C(C)NC(=O)/C=C/c2cccc(C)c2)cc1N(C)C
InChIInChI=1S/C21H26N2O2/c1-15-7-6-8-17(13-15)9-12-21(24)22-16(2)18-10-11-20(25-5)19(14-18)23(3)4/h6-14,16H,1-5H3,(H,22,24)/b12-9+
InChIKeyAUKCFWSOEFFRDO-FMIVXFBMSA-N
MW338.45 g/mol
LogP3.96
Rot. Bonds6

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

(E)-N-[1-[3-(dimethylamino)-4-methoxyphenyl]ethyl]-3-(3-methylphenyl)prop-2-enamide (PubChem CID 142190221) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (E)-N-[1-[3-(dimethylamino)-4-methoxyphenyl]ethyl]-3-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-[3-(dimethylamino)-4-methoxyphenyl]ethyl]-3-(3-methylphenyl)prop-2-enamide
PubChem CID142190221
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(E)-N-[1-[3-(dimethylamino)-4-methoxyphenyl]ethyl]-3-(3-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C(C)NC(=O)/C=C/c2cccc(C)c2)cc1N(C)C
InChIInChI=1S/C21H26N2O2/c1-15-7-6-8-17(13-15)9-12-21(24)22-16(2)18-10-11-20(25-5)19(14-18)23(3)4/h6-14,16H,1-5H3,(H,22,24)/b12-9+
InChIKeyAUKCFWSOEFFRDO-FMIVXFBMSA-N
XLogP3.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,4-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 92674332
(E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide
CID 9410111
(E)-3-(2,6-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 28560821
(E)-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 8962900
(E)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 92646063
methyl 3-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]butanoate
CID 134015690
(E)-3-(3-methylphenyl)-N-[(1S)-1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide
CID 20791769
(E)-3-(3-aminophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]prop-2-enamide
CID 115344734
(E)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]prop-2-enamide
CID 9164717
(E)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 38091744
(E)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 92672766
(E)-3-(3-methoxyphenyl)-N-[(1R)-1-(4-phenylphenyl)ethyl]prop-2-enamide
CID 7948884

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-[3-(dimethylamino)-4-methoxyphenyl]ethyl]-3-(3-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[1-[3-(dimethylamino)-4-methoxyphenyl]ethyl]-3-(3-methylphenyl)prop-2-enamide (CID 142190221) is (E)-N-[1-[3-(dimethylamino)-4-methoxyphenyl]ethyl]-3-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-[3-(dimethylamino)-4-methoxyphenyl]ethyl]-3-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-[3-(dimethylamino)-4-methoxyphenyl]ethyl]-3-(3-methylphenyl)prop-2-enamide is COc1ccc(C(C)NC(=O)/C=C/c2cccc(C)c2)cc1N(C)C.
What is the InChIKey of (E)-N-[1-[3-(dimethylamino)-4-methoxyphenyl]ethyl]-3-(3-methylphenyl)prop-2-enamide?
The InChIKey is AUKCFWSOEFFRDO-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-7-6-8-17(13-15)9-12-21(24)22-16(2)18-10-11-20(25-5)19(14-18)23(3)4/h6-14,16H,1-5H3,(H,22,24)/b12-9+.
What are the key properties of (E)-N-[1-[3-(dimethylamino)-4-methoxyphenyl]ethyl]-3-(3-methylphenyl)prop-2-enamide?
(E)-N-[1-[3-(dimethylamino)-4-methoxyphenyl]ethyl]-3-(3-methylphenyl)prop-2-enamide has a molecular weight of 338.45 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-[3-(dimethylamino)-4-methoxyphenyl]ethyl]-3-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 142190221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).