(E)-N-(2-methoxy-5-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide

C25H25NO4 — CID 51057815

IUPAC(E)-N-(2-methoxy-5-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1NC(=O)/C=C/c1cccc(OC)c1OCc1ccccc1
InChIInChI=1S/C25H25NO4/c1-18-12-14-22(28-2)21(16-18)26-24(27)15-13-20-10-7-11-23(29-3)25(20)30-17-19-8-5-4-6-9-19/h4-16H,17H2,1-3H3,(H,26,27)/b15-13+
InChIKeyRWNFQTNIOWDMOX-FYWRMAATSA-N
MW403.48 g/mol
LogP5.24
Rot. Bonds8

About (E)-N-(2-methoxy-5-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide

(E)-N-(2-methoxy-5-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide (PubChem CID 51057815) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is (E)-N-(2-methoxy-5-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methoxy-5-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
PubChem CID51057815
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name(E)-N-(2-methoxy-5-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1NC(=O)/C=C/c1cccc(OC)c1OCc1ccccc1
InChIInChI=1S/C25H25NO4/c1-18-12-14-22(28-2)21(16-18)26-24(27)15-13-20-10-7-11-23(29-3)25(20)30-17-19-8-5-4-6-9-19/h4-16H,17H2,1-3H3,(H,26,27)/b15-13+
InChIKeyRWNFQTNIOWDMOX-FYWRMAATSA-N
XLogP5.24
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 51057953
(E)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,5-dimethylphenyl)prop-2-enamide
CID 51058119
(E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 24592972
(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-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 9098414
(E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 966348
(E)-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 11811804
(E)-N-cyclohexyl-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057820
(E)-N-benzyl-3-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 51058036
(E)-1-(2-hydroxyphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 15887381
(E)-N-(2-chloro-6-methylphenyl)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 51058123

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methoxy-5-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-methoxy-5-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide (CID 51057815) is (E)-N-(2-methoxy-5-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-methoxy-5-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-methoxy-5-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide is COc1ccc(C)cc1NC(=O)/C=C/c1cccc(OC)c1OCc1ccccc1.
What is the InChIKey of (E)-N-(2-methoxy-5-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide?
The InChIKey is RWNFQTNIOWDMOX-FYWRMAATSA-N. The full InChI is InChI=1S/C25H25NO4/c1-18-12-14-22(28-2)21(16-18)26-24(27)15-13-20-10-7-11-23(29-3)25(20)30-17-19-8-5-4-6-9-19/h4-16H,17H2,1-3H3,(H,26,27)/b15-13+.
What are the key properties of (E)-N-(2-methoxy-5-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide?
(E)-N-(2-methoxy-5-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide has a molecular weight of 403.48 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxy-5-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 51057815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).