N-(3-chlorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide

C19H20ClNO3 — CID 3477452

IUPACN-(3-chlorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(C=CC(=O)Nc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C19H20ClNO3/c1-3-11-24-17-9-7-14(12-18(17)23-2)8-10-19(22)21-16-6-4-5-15(20)13-16/h4-10,12-13H,3,11H2,1-2H3,(H,21,22)
InChIKeyGWUHAVMDMLCRRB-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.79
Rot. Bonds7

About N-(3-chlorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide

N-(3-chlorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide (PubChem CID 3477452) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
PubChem CID3477452
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC NameN-(3-chlorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(C=CC(=O)Nc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C19H20ClNO3/c1-3-11-24-17-9-7-14(12-18(17)23-2)8-10-19(22)21-16-6-4-5-15(20)13-16/h4-10,12-13H,3,11H2,1-2H3,(H,21,22)
InChIKeyGWUHAVMDMLCRRB-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)-N-(3-ethoxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 60533788
3-(3-methoxy-4-propoxyphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 3477866
(E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953593
3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 3440540
(E)-N-(3-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 45376337
(E)-N-(3-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 90682051
3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 3433146
N-cyclopropyl-3-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide
CID 26993761
propyl 3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzoate
CID 3431507
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 4224141
N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 716117
propyl 4-[3-(3-methoxy-4-propoxyphenyl)prop-2-enoylamino]benzoate
CID 3440541

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide?
The IUPAC name of N-(3-chlorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide (CID 3477452) is N-(3-chlorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide is CCCOc1ccc(C=CC(=O)Nc2cccc(Cl)c2)cc1OC.
What is the InChIKey of N-(3-chlorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide?
The InChIKey is GWUHAVMDMLCRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-3-11-24-17-9-7-14(12-18(17)23-2)8-10-19(22)21-16-6-4-5-15(20)13-16/h4-10,12-13H,3,11H2,1-2H3,(H,21,22).
What are the key properties of N-(3-chlorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide?
N-(3-chlorophenyl)-3-(3-methoxy-4-propoxyphenyl)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-(3-chlorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 3477452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).