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

C24H23NO2 — CID 3591323

IUPACN-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
SMILESCCc1ccc(NC(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H23NO2/c1-2-19-8-13-22(14-9-19)25-24(26)17-12-20-10-15-23(16-11-20)27-18-21-6-4-3-5-7-21/h3-17H,2,18H2,1H3,(H,25,26)
InChIKeyISKXYBCWCDKWQD-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.48
Rot. Bonds7

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

N-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide (PubChem CID 3591323) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
PubChem CID3591323
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC NameN-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
SMILESCCc1ccc(NC(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H23NO2/c1-2-19-8-13-22(14-9-19)25-24(26)17-12-20-10-15-23(16-11-20)27-18-21-6-4-3-5-7-21/h3-17H,2,18H2,1H3,(H,25,26)
InChIKeyISKXYBCWCDKWQD-UHFFFAOYSA-N
XLogP5.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-methyl-N-[4-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]phenyl]carbamate
CID 60578500
(E)-N-(4-ethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188948
(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)prop-2-enamide
CID 1472319
cyclohexyl 4-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19175163
3-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)carbamothioyl]prop-2-enamide
CID 4947645
N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591319
(E)-N-(3-amino-4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 28867666
N-(4-ethylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3862743
(E)-N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 108767875
N-[4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]phenyl]octanamide
CID 166451315
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
(E)-N-(4-ethoxyphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 55616869

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide (CID 3591323) is N-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide is CCc1ccc(NC(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
The InChIKey is ISKXYBCWCDKWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-2-19-8-13-22(14-9-19)25-24(26)17-12-20-10-15-23(16-11-20)27-18-21-6-4-3-5-7-21/h3-17H,2,18H2,1H3,(H,25,26).
What are the key properties of N-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide?
N-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide has a molecular weight of 357.45 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 3591323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).