N-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide

C22H27NO2 — CID 4939379

IUPACN-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCCCCCCOc1ccc(NC(=O)C=Cc2ccc(C)cc2)cc1
InChIInChI=1S/C22H27NO2/c1-3-4-5-6-17-25-21-14-12-20(13-15-21)23-22(24)16-11-19-9-7-18(2)8-10-19/h7-16H,3-6,17H2,1-2H3,(H,23,24)
InChIKeyBIJKBMVDSQUOSG-UHFFFAOYSA-N
MW337.46 g/mol
LogP5.61
Rot. Bonds9

About N-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide

N-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide (PubChem CID 4939379) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
PubChem CID4939379
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC NameN-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCCCCCCOc1ccc(NC(=O)C=Cc2ccc(C)cc2)cc1
InChIInChI=1S/C22H27NO2/c1-3-4-5-6-17-25-21-14-12-20(13-15-21)23-22(24)16-11-19-9-7-18(2)8-10-19/h7-16H,3-6,17H2,1-2H3,(H,23,24)
InChIKeyBIJKBMVDSQUOSG-UHFFFAOYSA-N
XLogP5.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.46
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-(3-methylbutoxy)phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 6235210
3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 4952517
3-(4-methylphenyl)-1-(4-octadecoxyphenyl)prop-2-en-1-one
CID 70379262
(E)-N-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 17186941
hexyl 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19173123
N-(4-fluorophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791684
3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 4943064
(E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 17195487
propan-2-yl 4-[3-(4-butoxyphenyl)prop-2-enoylamino]benzoate
CID 4623630
1-hexoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 163706306
N-[(4-hexoxyphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 4939482
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2788614

Frequently Asked Questions

What is the IUPAC name of N-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of N-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide (CID 4939379) is N-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for N-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide is CCCCCCOc1ccc(NC(=O)C=Cc2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is BIJKBMVDSQUOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-3-4-5-6-17-25-21-14-12-20(13-15-21)23-22(24)16-11-19-9-7-18(2)8-10-19/h7-16H,3-6,17H2,1-2H3,(H,23,24).
What are the key properties of N-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide?
N-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 337.46 g/mol, XLogP of 5.61, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 4939379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).