N-benzhydrylbut-2-enamide

C17H17NO — CID 78906490

IUPACN-benzhydrylbut-2-enamide
SMILESCC=CC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO/c1-2-9-16(19)18-17(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h2-13,17H,1H3,(H,18,19)
InChIKeyAPIPSQOQCJCELL-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.47
Rot. Bonds4

About N-benzhydrylbut-2-enamide

N-benzhydrylbut-2-enamide (PubChem CID 78906490) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is N-benzhydrylbut-2-enamide.

Molecular Properties

Compound NameN-benzhydrylbut-2-enamide
PubChem CID78906490
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC NameN-benzhydrylbut-2-enamide
SMILESCC=CC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO/c1-2-9-16(19)18-17(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h2-13,17H,1H3,(H,18,19)
InChIKeyAPIPSQOQCJCELL-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.47
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

N-[(1R)-1-phenylethyl]but-2-enamide
CID 778457
(E)-N-[(1S)-2-hydroxy-1-phenylethyl]but-2-enamide
CID 102059297
N-(2-ethyl-1-phenylbutyl)but-2-enamide
CID 112729313
(E)-N-[(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 132760659
(E)-N-[(R)-(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 99947103
(E)-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 99947102
(Z)-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]but-2-enediamide
CID 98573401
N-benzhydryl-3-(furan-2-yl)prop-2-enamide
CID 880414
(E)-N-[[[(E)-but-2-enoyl]amino]-(2-chlorophenyl)methyl]but-2-enamide
CID 132579335
(2S)-2-(but-2-enoylamino)-3-phenylpropanoic acid
CID 54470375
(E)-N-benzhydryl-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
CID 24843635
(E)-3-(4-chlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]prop-2-enamide
CID 43915668

Frequently Asked Questions

What is the IUPAC name of N-benzhydrylbut-2-enamide?
The IUPAC name of N-benzhydrylbut-2-enamide (CID 78906490) is N-benzhydrylbut-2-enamide.
What is the SMILES notation for N-benzhydrylbut-2-enamide?
The canonical SMILES for N-benzhydrylbut-2-enamide is CC=CC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydrylbut-2-enamide?
The InChIKey is APIPSQOQCJCELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-2-9-16(19)18-17(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h2-13,17H,1H3,(H,18,19).
What are the key properties of N-benzhydrylbut-2-enamide?
N-benzhydrylbut-2-enamide has a molecular weight of 251.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydrylbut-2-enamide is sourced from PubChem (CID 78906490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).