(E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide

C20H23NO — CID 6293212

IUPAC(E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCCCCc2ccccc2)cc1
InChIInChI=1S/C20H23NO/c1-17-10-12-19(13-11-17)14-15-20(22)21-16-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,10-15H,5-6,9,16H2,1H3,(H,21,22)/b15-14+
InChIKeyPDZCGMZOQNCFFF-CCEZHUSRSA-N
MW293.41 g/mol
LogP4.15
Rot. Bonds7

About (E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide

(E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide (PubChem CID 6293212) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide
PubChem CID6293212
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCCCCc2ccccc2)cc1
InChIInChI=1S/C20H23NO/c1-17-10-12-19(13-11-17)14-15-20(22)21-16-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,10-15H,5-6,9,16H2,1H3,(H,21,22)/b15-14+
InChIKeyPDZCGMZOQNCFFF-CCEZHUSRSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 6278792
3-(4-chlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 2931567
3-(4-methylphenyl)-N-pentylprop-2-enamide
CID 3568321
(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886
N,N-dimethyl-4-[(E)-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]benzamide
CID 110300693
(E)-3-(4-methylphenyl)-N-octylprop-2-enamide
CID 6042816
3-(4-methylphenyl)-N-octylprop-2-enamide
CID 4229517
(E)-N-(4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide
CID 55593221
(E)-3-(2,6-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide
CID 6077577
3-[[(E)-3-[4-(4-phenylbutoxy)phenyl]prop-2-enoyl]amino]propanoic acid
CID 10109549
(E)-N-[2-(4-methylphenoxy)ethyl]-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 19175905
3-phenylpropyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 6234129

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide (CID 6293212) is (E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NCCCCc2ccccc2)cc1.
What is the InChIKey of (E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide?
The InChIKey is PDZCGMZOQNCFFF-CCEZHUSRSA-N. The full InChI is InChI=1S/C20H23NO/c1-17-10-12-19(13-11-17)14-15-20(22)21-16-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,10-15H,5-6,9,16H2,1H3,(H,21,22)/b15-14+.
What are the key properties of (E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide?
(E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide has a molecular weight of 293.41 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide is sourced from PubChem (CID 6293212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).