N-(2-methyl-3-oxo-1-phenylpent-1-enyl)benzamide

C19H19NO2 — CID 5004684

IUPACN-(2-methyl-3-oxo-1-phenylpent-1-enyl)benzamide
SMILESCCC(=O)C(C)=C(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO2/c1-3-17(21)14(2)18(15-10-6-4-7-11-15)20-19(22)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3,(H,20,22)
InChIKeyRGEYWSBHSPOPDR-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.83
Rot. Bonds5

About N-(2-methyl-3-oxo-1-phenylpent-1-enyl)benzamide

N-(2-methyl-3-oxo-1-phenylpent-1-enyl)benzamide (PubChem CID 5004684) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(2-methyl-3-oxo-1-phenylpent-1-enyl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-3-oxo-1-phenylpent-1-enyl)benzamide
PubChem CID5004684
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC NameN-(2-methyl-3-oxo-1-phenylpent-1-enyl)benzamide
SMILESCCC(=O)C(C)=C(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO2/c1-3-17(21)14(2)18(15-10-6-4-7-11-15)20-19(22)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3,(H,20,22)
InChIKeyRGEYWSBHSPOPDR-UHFFFAOYSA-N
XLogP3.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417
benzohydrazide;propane
CID 90709051
(Z)-3-acetamido-2-methyl-3-phenylprop-2-enoic acid
CID 14280418
N-(ethylcarbamoyl)benzamide
CID 23273840
benzohydrazide;ethanol;hydrochloride
CID 70295048
N-methylbenzamide
CID 11954
N-(pentan-3-ylideneamino)benzamide
CID 4611553
methyl 3-benzamido-3-oxopropanoate
CID 11345054
N-carbamoylbenzamide;urea
CID 157303801
N-ethylbenzamide
CID 160772566
methanamine;bis(N-methylbenzamide);1-phenylethanone
CID 161091192
N-oct-2-en-3-ylbenzamide
CID 69089961

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-oxo-1-phenylpent-1-enyl)benzamide?
The IUPAC name of N-(2-methyl-3-oxo-1-phenylpent-1-enyl)benzamide (CID 5004684) is N-(2-methyl-3-oxo-1-phenylpent-1-enyl)benzamide.
What is the SMILES notation for N-(2-methyl-3-oxo-1-phenylpent-1-enyl)benzamide?
The canonical SMILES for N-(2-methyl-3-oxo-1-phenylpent-1-enyl)benzamide is CCC(=O)C(C)=C(NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-methyl-3-oxo-1-phenylpent-1-enyl)benzamide?
The InChIKey is RGEYWSBHSPOPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-3-17(21)14(2)18(15-10-6-4-7-11-15)20-19(22)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3,(H,20,22).
What are the key properties of N-(2-methyl-3-oxo-1-phenylpent-1-enyl)benzamide?
N-(2-methyl-3-oxo-1-phenylpent-1-enyl)benzamide has a molecular weight of 293.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-oxo-1-phenylpent-1-enyl)benzamide is sourced from PubChem (CID 5004684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).