ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide

C22H33NO — CID 91574735

IUPACethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
SMILESCC.CC.CC.Cc1ccccc1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H15NO.3C2H6/c1-13-7-5-6-10-15(13)17-16(18)12-11-14-8-3-2-4-9-14;3*1-2/h2-12H,1H3,(H,17,18);3*1-2H3/b12-11+;;;
InChIKeyZDLUOBARGIEWOE-UECMSYGKSA-N
MW327.51 g/mol
LogP6.73
Rot. Bonds3

About ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide

ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide (PubChem CID 91574735) has the molecular formula C22H33NO and a molecular weight of 327.51 g/mol. Its IUPAC name is ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Nameethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
PubChem CID91574735
Molecular FormulaC22H33NO
Molecular Weight327.51 g/mol
Exact Mass327.26
IUPAC Nameethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
SMILESCC.CC.CC.Cc1ccccc1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H15NO.3C2H6/c1-13-7-5-6-10-15(13)17-16(18)12-11-14-8-3-2-4-9-14;3*1-2/h2-12H,1H3,(H,17,18);3*1-2H3/b12-11+;;;
InChIKeyZDLUOBARGIEWOE-UECMSYGKSA-N
XLogP6.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.51
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
N-[2-methyl-3-(2-methylanilino)phenyl]-3-phenylprop-2-enamide
CID 139612240
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4667675
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
N-[(2-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 786683
(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide
CID 875192
(E)-3-(3,5-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 24554768
N,N-dimethyl-4-[(E)-3-(2-methylanilino)-3-oxoprop-1-enyl]benzamide
CID 110300711
3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
CID 3507012
N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875130
(E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875131

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide?
The IUPAC name of ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide (CID 91574735) is ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide is CC.CC.CC.Cc1ccccc1NC(=O)/C=C/c1ccccc1.
What is the InChIKey of ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide?
The InChIKey is ZDLUOBARGIEWOE-UECMSYGKSA-N. The full InChI is InChI=1S/C16H15NO.3C2H6/c1-13-7-5-6-10-15(13)17-16(18)12-11-14-8-3-2-4-9-14;3*1-2/h2-12H,1H3,(H,17,18);3*1-2H3/b12-11+;;;.
What are the key properties of ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide?
ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide has a molecular weight of 327.51 g/mol, XLogP of 6.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 91574735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).