(E)-N-benzyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide

C20H23NO — CID 6019548

IUPAC(E)-N-benzyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
SMILESCC(C)Cc1ccc(/C=C/C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H23NO/c1-16(2)14-18-10-8-17(9-11-18)12-13-20(22)21-15-19-6-4-3-5-7-19/h3-13,16H,14-15H2,1-2H3,(H,21,22)/b13-12+
InChIKeyPWGOUBYFDBDPHN-OUKQBFOZSA-N
MW293.41 g/mol
LogP4.21
Rot. Bonds6

About (E)-N-benzyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide

(E)-N-benzyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide (PubChem CID 6019548) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (E)-N-benzyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
PubChem CID6019548
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(E)-N-benzyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
SMILESCC(C)Cc1ccc(/C=C/C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H23NO/c1-16(2)14-18-10-8-17(9-11-18)12-13-20(22)21-15-19-6-4-3-5-7-19/h3-13,16H,14-15H2,1-2H3,(H,21,22)/b13-12+
InChIKeyPWGOUBYFDBDPHN-OUKQBFOZSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(furan-2-ylmethyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
CID 6379903
N-benzyl-3-(4-chlorophenyl)prop-2-enamide
CID 682148
(Z)-N-benzyl-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 23275357
(E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide
CID 115344062
(E)-3-(4-chlorophenyl)-N-[(2S)-1-phenylpropan-2-yl]prop-2-enamide
CID 882618
(E)-N-benzyl-4-oxopent-2-enamide
CID 131237691
(E)-N-benzyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 8713243
(E)-N-benzyl-3-(3,4-dichlorophenyl)prop-2-enamide
CID 898158
(E)-3-[4-[(2-methoxypropanoylamino)methyl]phenyl]prop-2-enoic acid
CID 113374831
methyl 3-[4-(2-methylpropyl)phenyl]prop-2-enoate
CID 139892632
(2Z,4E)-N-benzyl-3-methyl-5-phenylpenta-2,4-dienamide
CID 102036043
(E)-3-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]prop-2-enamide
CID 30384892

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-benzyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide (CID 6019548) is (E)-N-benzyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-benzyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide is CC(C)Cc1ccc(/C=C/C(=O)NCc2ccccc2)cc1.
What is the InChIKey of (E)-N-benzyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide?
The InChIKey is PWGOUBYFDBDPHN-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H23NO/c1-16(2)14-18-10-8-17(9-11-18)12-13-20(22)21-15-19-6-4-3-5-7-19/h3-13,16H,14-15H2,1-2H3,(H,21,22)/b13-12+.
What are the key properties of (E)-N-benzyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide?
(E)-N-benzyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide has a molecular weight of 293.41 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide is sourced from PubChem (CID 6019548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).