(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide

C25H25NO4 — CID 29194971

IUPAC(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
SMILESCOc1cc(C)c(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1OC
InChIInChI=1S/C25H25NO4/c1-18-15-23(28-2)24(29-3)16-22(18)26-25(27)14-11-19-9-12-21(13-10-19)30-17-20-7-5-4-6-8-20/h4-16H,17H2,1-3H3,(H,26,27)/b14-11+
InChIKeyYCQBBOIKJDQQIJ-SDNWHVSQSA-N
MW403.48 g/mol
LogP5.24
Rot. Bonds8

About (E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide

(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide (PubChem CID 29194971) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is (E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
PubChem CID29194971
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
SMILESCOc1cc(C)c(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1OC
InChIInChI=1S/C25H25NO4/c1-18-15-23(28-2)24(29-3)16-22(18)26-25(27)14-11-19-9-12-21(13-10-19)30-17-20-7-5-4-6-8-20/h4-16H,17H2,1-3H3,(H,26,27)/b14-11+
InChIKeyYCQBBOIKJDQQIJ-SDNWHVSQSA-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

N-(2-methoxy-5-nitrophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 1191358
N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591319
(E)-N-(2-amino-4-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 28867674
N-(2-fluoro-4,5-dimethoxyphenyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide
CID 72688755
(E)-N-(3-bromo-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 6260873
(E)-3-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 11811804
(E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188946
4,5-dimethoxy-N,N-dimethyl-2-[[(E)-3-(3-phenylmethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 32515361
N-[4-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2,5-dimethoxyphenyl]benzamide
CID 4642812
N-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591323
N-(2-aminophenyl)-3-[4-[(3,4,5-trimethoxyphenoxy)methyl]phenyl]prop-2-enamide
CID 66893923
3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenylmethoxyphenyl)prop-2-enamide
CID 4132325

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide (CID 29194971) is (E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide is COc1cc(C)c(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1OC.
What is the InChIKey of (E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The InChIKey is YCQBBOIKJDQQIJ-SDNWHVSQSA-N. The full InChI is InChI=1S/C25H25NO4/c1-18-15-23(28-2)24(29-3)16-22(18)26-25(27)14-11-19-9-12-21(13-10-19)30-17-20-7-5-4-6-8-20/h4-16H,17H2,1-3H3,(H,26,27)/b14-11+.
What are the key properties of (E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(4-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-(4,5-dimethoxy-2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 29194971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).