(E)-3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide

C19H20ClNO3 — CID 17329451

IUPAC(E)-3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
SMILESCOc1ccc(C(C)NC(=O)/C=C/c2ccccc2Cl)cc1OC
InChIInChI=1S/C19H20ClNO3/c1-13(15-8-10-17(23-2)18(12-15)24-3)21-19(22)11-9-14-6-4-5-7-16(14)20/h4-13H,1-3H3,(H,21,22)/b11-9+
InChIKeyRBWQTMNXMOZZKX-PKNBQFBNSA-N
MW345.83 g/mol
LogP4.25
Rot. Bonds6

About (E)-3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide

(E)-3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide (PubChem CID 17329451) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
PubChem CID17329451
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name(E)-3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
SMILESCOc1ccc(C(C)NC(=O)/C=C/c2ccccc2Cl)cc1OC
InChIInChI=1S/C19H20ClNO3/c1-13(15-8-10-17(23-2)18(12-15)24-3)21-19(22)11-9-14-6-4-5-7-16(14)20/h4-13H,1-3H3,(H,21,22)/b11-9+
InChIKeyRBWQTMNXMOZZKX-PKNBQFBNSA-N
XLogP4.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.25
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-(2-chlorophenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 30381442
(E)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 92672766
(E)-3-(2,6-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 28560821
(E)-3-(3,4-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 92674332
4-[1-(3,4-dimethoxyphenyl)ethylamino]-4-oxobut-2-enoic acid
CID 61172423
(E)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 92646063
(E)-3-[2-(difluoromethoxy)phenyl]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]prop-2-enamide
CID 55747210
(E)-N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 132653574
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 55748515
(E)-3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)carbamothioyl]prop-2-enamide
CID 54781507
(E)-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 8962900
(E)-3-(2,4-dimethoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 20744202

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide (CID 17329451) is (E)-3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide is COc1ccc(C(C)NC(=O)/C=C/c2ccccc2Cl)cc1OC.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide?
The InChIKey is RBWQTMNXMOZZKX-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-13(15-8-10-17(23-2)18(12-15)24-3)21-19(22)11-9-14-6-4-5-7-16(14)20/h4-13H,1-3H3,(H,21,22)/b11-9+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide has a molecular weight of 345.83 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 17329451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).