N-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide

C27H29NO3 — CID 42697314

IUPACN-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide
SMILESCCOc1ccc(N(C/C(C)=C/c2ccccc2)C(=O)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C27H29NO3/c1-4-31-26-16-12-24(13-17-26)28(20-21(2)18-22-8-6-5-7-9-22)27(29)19-23-10-14-25(30-3)15-11-23/h5-18H,4,19-20H2,1-3H3/b21-18+
InChIKeyFASUNYPGYWHEEU-DYTRJAOYSA-N
MW415.53 g/mol
LogP5.77
Rot. Bonds9

About N-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide

N-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide (PubChem CID 42697314) has the molecular formula C27H29NO3 and a molecular weight of 415.53 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide
PubChem CID42697314
Molecular FormulaC27H29NO3
Molecular Weight415.53 g/mol
Exact Mass415.21
IUPAC NameN-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide
SMILESCCOc1ccc(N(C/C(C)=C/c2ccccc2)C(=O)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C27H29NO3/c1-4-31-26-16-12-24(13-17-26)28(20-21(2)18-22-8-6-5-7-9-22)27(29)19-23-10-14-25(30-3)15-11-23/h5-18H,4,19-20H2,1-3H3/b21-18+
InChIKeyFASUNYPGYWHEEU-DYTRJAOYSA-N
XLogP5.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.53
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-3,5-dimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 42697315
N-(4-ethoxyphenyl)-4-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 42697308
1-(4-ethoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea
CID 42697597
2-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-methylpropyl)acetamide
CID 42702376
N,2-bis(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 42696235
3-cyclopentyl-N-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]propanamide
CID 42697749
N-(4-ethoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzenesulfonamide
CID 42697318
3-(1-adamantyl)-1-(4-methoxyphenyl)-1-(2-methyl-3-phenylprop-2-enyl)urea
CID 4647974
N-ethyl-2-(4-methoxyphenoxy)-N-phenylacetamide
CID 922695
2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide
CID 113173931
2-(4-ethoxyphenyl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 86922113
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 55306615

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide (CID 42697314) is N-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide is CCOc1ccc(N(C/C(C)=C/c2ccccc2)C(=O)Cc2ccc(OC)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide?
The InChIKey is FASUNYPGYWHEEU-DYTRJAOYSA-N. The full InChI is InChI=1S/C27H29NO3/c1-4-31-26-16-12-24(13-17-26)28(20-21(2)18-22-8-6-5-7-9-22)27(29)19-23-10-14-25(30-3)15-11-23/h5-18H,4,19-20H2,1-3H3/b21-18+.
What are the key properties of N-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide?
N-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide has a molecular weight of 415.53 g/mol, XLogP of 5.77, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide is sourced from PubChem (CID 42697314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).