(E)-N-(4-ethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide

C25H25NO3 — CID 1188948

IUPAC(E)-N-(4-ethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
SMILESCCc1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1
InChIInChI=1S/C25H25NO3/c1-3-19-9-13-22(14-10-19)26-25(27)16-12-20-11-15-23(24(17-20)28-2)29-18-21-7-5-4-6-8-21/h4-17H,3,18H2,1-2H3,(H,26,27)/b16-12+
InChIKeyLNVVVOOXIYDLFQ-FOWTUZBSSA-N
MW387.48 g/mol
LogP5.49
Rot. Bonds8

About (E)-N-(4-ethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide

(E)-N-(4-ethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide (PubChem CID 1188948) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is (E)-N-(4-ethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-ethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
PubChem CID1188948
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name(E)-N-(4-ethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
SMILESCCc1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1
InChIInChI=1S/C25H25NO3/c1-3-19-9-13-22(14-10-19)26-25(27)16-12-20-11-15-23(24(17-20)28-2)29-18-21-7-5-4-6-8-21/h4-17H,3,18H2,1-2H3,(H,26,27)/b16-12+
InChIKeyLNVVVOOXIYDLFQ-FOWTUZBSSA-N
XLogP5.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.49
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-[4-(dimethylamino)phenyl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1190683
propyl 4-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoylamino]benzoate
CID 3278216
hexyl 4-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoylamino]benzoate
CID 3492444
N-(4-acetamidophenyl)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide
CID 3454977
3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenylmethoxyphenyl)prop-2-enamide
CID 4132325
N-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591323
(E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188946
(E)-N-benzyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188981
3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 3433146
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 67047065
N-(3-acetylphenyl)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 1182771
3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enehydrazide
CID 131849552

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-ethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-ethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide (CID 1188948) is (E)-N-(4-ethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-ethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-ethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide is CCc1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1.
What is the InChIKey of (E)-N-(4-ethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide?
The InChIKey is LNVVVOOXIYDLFQ-FOWTUZBSSA-N. The full InChI is InChI=1S/C25H25NO3/c1-3-19-9-13-22(14-10-19)26-25(27)16-12-20-11-15-23(24(17-20)28-2)29-18-21-7-5-4-6-8-21/h4-17H,3,18H2,1-2H3,(H,26,27)/b16-12+.
What are the key properties of (E)-N-(4-ethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide?
(E)-N-(4-ethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide has a molecular weight of 387.48 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-ethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 1188948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).