N-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide

C19H20ClNO3 — CID 732824

IUPACN-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)Nc2ccc(Cl)cc2)cc1OCC
InChIInChI=1S/C19H20ClNO3/c1-3-23-17-11-5-14(13-18(17)24-4-2)6-12-19(22)21-16-9-7-15(20)8-10-16/h5-13H,3-4H2,1-2H3,(H,21,22)
InChIKeyZSSIKOWHKBOHLN-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.79
Rot. Bonds7

About N-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide

N-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide (PubChem CID 732824) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
PubChem CID732824
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC NameN-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)Nc2ccc(Cl)cc2)cc1OCC
InChIInChI=1S/C19H20ClNO3/c1-3-23-17-11-5-14(13-18(17)24-4-2)6-12-19(22)21-16-9-7-15(20)8-10-16/h5-13H,3-4H2,1-2H3,(H,21,22)
InChIKeyZSSIKOWHKBOHLN-UHFFFAOYSA-N
XLogP4.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.79
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-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)prop-2-enamide
CID 7924174
(Z)-3-(3-amino-4-ethoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide
CID 94760326
N-(3,4-dichlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 5046140
(E)-N-(3-chloro-4-methoxyphenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 5449139
(E)-3-(3,4-diethoxyphenyl)-N-[4-(dimethylamino)phenyl]prop-2-enamide
CID 1178498
N-[4-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
CID 41265772
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
(E)-3-(4-butoxy-3-ethoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 102534909
(E)-N-(4-aminophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 28854464
(E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732821
N-[4-(dimethylamino)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5183388

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide (CID 732824) is N-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide is CCOc1ccc(C=CC(=O)Nc2ccc(Cl)cc2)cc1OCC.
What is the InChIKey of N-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide?
The InChIKey is ZSSIKOWHKBOHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-3-23-17-11-5-14(13-18(17)24-4-2)6-12-19(22)21-16-9-7-15(20)8-10-16/h5-13H,3-4H2,1-2H3,(H,21,22).
What are the key properties of N-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide?
N-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide has a molecular weight of 345.83 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 732824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).