(E)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,5-dimethylphenyl)prop-2-enamide

C25H24ClNO3 — CID 51058119

IUPAC(E)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,5-dimethylphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2cc(C)ccc2C)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C25H24ClNO3/c1-17-7-8-18(2)22(15-17)27-24(28)14-11-20-5-4-6-23(29-3)25(20)30-16-19-9-12-21(26)13-10-19/h4-15H,16H2,1-3H3,(H,27,28)/b14-11+
InChIKeyNVVLCOZMZCPWJU-SDNWHVSQSA-N
MW421.92 g/mol
LogP6.20
Rot. Bonds7

About (E)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,5-dimethylphenyl)prop-2-enamide

(E)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,5-dimethylphenyl)prop-2-enamide (PubChem CID 51058119) has the molecular formula C25H24ClNO3 and a molecular weight of 421.92 g/mol. Its IUPAC name is (E)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,5-dimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,5-dimethylphenyl)prop-2-enamide
PubChem CID51058119
Molecular FormulaC25H24ClNO3
Molecular Weight421.92 g/mol
Exact Mass421.14
IUPAC Name(E)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,5-dimethylphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2cc(C)ccc2C)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C25H24ClNO3/c1-17-7-8-18(2)22(15-17)27-24(28)14-11-20-5-4-6-23(29-3)25(20)30-16-19-9-12-21(26)13-10-19/h4-15H,16H2,1-3H3,(H,27,28)/b14-11+
InChIKeyNVVLCOZMZCPWJU-SDNWHVSQSA-N
XLogP6.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.92
LogP ≤ 56.20
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-(2-methoxy-5-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057815
(E)-3-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 51057953
(E)-N-(2-chloro-6-methylphenyl)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 51058123
(E)-N-(2-chlorophenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057801
(E)-N-(3-chloro-4-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057812
(E)-N-(2,5-dimethylphenyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 51058331
3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4-dimethylphenyl)prop-2-enamide
CID 2788733
(E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 24592972
(E)-N-(2-chloro-4-methylphenyl)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 7668459
2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde
CID 889254
2-[5-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-methylphenyl)acetamide
CID 4589726
(E)-3-(2-chloro-3-methoxyphenyl)-N-(2-chloro-4-methylphenyl)prop-2-enamide
CID 45051343

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,5-dimethylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,5-dimethylphenyl)prop-2-enamide (CID 51058119) is (E)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,5-dimethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,5-dimethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,5-dimethylphenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)Nc2cc(C)ccc2C)c1OCc1ccc(Cl)cc1.
What is the InChIKey of (E)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,5-dimethylphenyl)prop-2-enamide?
The InChIKey is NVVLCOZMZCPWJU-SDNWHVSQSA-N. The full InChI is InChI=1S/C25H24ClNO3/c1-17-7-8-18(2)22(15-17)27-24(28)14-11-20-5-4-6-23(29-3)25(20)30-16-19-9-12-21(26)13-10-19/h4-15H,16H2,1-3H3,(H,27,28)/b14-11+.
What are the key properties of (E)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,5-dimethylphenyl)prop-2-enamide?
(E)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,5-dimethylphenyl)prop-2-enamide has a molecular weight of 421.92 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,5-dimethylphenyl)prop-2-enamide is sourced from PubChem (CID 51058119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).