(E)-3-(3-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]prop-2-enamide

C19H20ClNO3 — CID 9476999

IUPAC(E)-3-(3-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]prop-2-enamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)/C=C/c2cccc(Cl)c2)c1
InChIInChI=1S/C19H20ClNO3/c1-13(17-12-16(23-2)8-9-18(17)24-3)21-19(22)10-7-14-5-4-6-15(20)11-14/h4-13H,1-3H3,(H,21,22)/b10-7+/t13-/m1/s1
InChIKeyIUSOZSMEBAEURB-UTSBKAFOSA-N
MW345.83 g/mol
LogP4.25
Rot. Bonds6

About (E)-3-(3-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]prop-2-enamide

(E)-3-(3-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]prop-2-enamide (PubChem CID 9476999) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]prop-2-enamide
PubChem CID9476999
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name(E)-3-(3-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]prop-2-enamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)/C=C/c2cccc(Cl)c2)c1
InChIInChI=1S/C19H20ClNO3/c1-13(17-12-16(23-2)8-9-18(17)24-3)21-19(22)10-7-14-5-4-6-15(20)11-14/h4-13H,1-3H3,(H,21,22)/b10-7+/t13-/m1/s1
InChIKeyIUSOZSMEBAEURB-UTSBKAFOSA-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-(3-chloro-4,5-dimethoxyphenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]prop-2-enamide
CID 9477731
(E)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 26442165
(E)-3-(2,5-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 51144624
(E)-N-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 9092725
(E)-3-(2,4-dimethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9262378
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
(E)-3-(3,4-dimethoxyphenyl)-N-[1-(2-methylphenyl)ethyl]prop-2-enamide
CID 51149237
3-(3-chlorophenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide
CID 76884702
(2R)-2-[3-(3-chlorophenyl)prop-2-enoylamino]-3-methylbutanoic acid
CID 79011048
N-butan-2-yl-3-(3-chlorophenyl)prop-2-enamide
CID 4106127
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 78771438
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9263046

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]prop-2-enamide (CID 9476999) is (E)-3-(3-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]prop-2-enamide is COc1ccc(OC)c([C@@H](C)NC(=O)/C=C/c2cccc(Cl)c2)c1.
What is the InChIKey of (E)-3-(3-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]prop-2-enamide?
The InChIKey is IUSOZSMEBAEURB-UTSBKAFOSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-13(17-12-16(23-2)8-9-18(17)24-3)21-19(22)10-7-14-5-4-6-15(20)11-14/h4-13H,1-3H3,(H,21,22)/b10-7+/t13-/m1/s1.
What are the key properties of (E)-3-(3-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]prop-2-enamide?
(E)-3-(3-chlorophenyl)-N-[(1R)-1-(2,5-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-(3-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 9476999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).