N-benzylprop-2-enamide;2,3-dimethylbut-2-enamide

C16H22N2O2 — CID 174986700

IUPACN-benzylprop-2-enamide;2,3-dimethylbut-2-enamide
SMILESC=CC(=O)NCc1ccccc1.CC(C)=C(C)C(N)=O
InChIInChI=1S/C10H11NO.C6H11NO/c1-2-10(12)11-8-9-6-4-3-5-7-9;1-4(2)5(3)6(7)8/h2-7H,1,8H2,(H,11,12);1-3H3,(H2,7,8)
InChIKeyGZVJGKDXVGLBFY-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.32
Rot. Bonds4

About N-benzylprop-2-enamide;2,3-dimethylbut-2-enamide

N-benzylprop-2-enamide;2,3-dimethylbut-2-enamide (PubChem CID 174986700) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-benzylprop-2-enamide;2,3-dimethylbut-2-enamide.

Molecular Properties

Compound NameN-benzylprop-2-enamide;2,3-dimethylbut-2-enamide
PubChem CID174986700
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-benzylprop-2-enamide;2,3-dimethylbut-2-enamide
SMILESC=CC(=O)NCc1ccccc1.CC(C)=C(C)C(N)=O
InChIInChI=1S/C10H11NO.C6H11NO/c1-2-10(12)11-8-9-6-4-3-5-7-9;1-4(2)5(3)6(7)8/h2-7H,1,8H2,(H,11,12);1-3H3,(H2,7,8)
InChIKeyGZVJGKDXVGLBFY-UHFFFAOYSA-N
XLogP2.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzylprop-2-enamide;N-butylbutan-1-amine
CID 66969925
N-[(4-anilinophenyl)methyl]prop-2-enamide
CID 57298841
N'-benzyloxamide
CID 561416
2-(prop-2-enoylamino)ethyl N-benzylcarbamate
CID 166676407
3-[(prop-2-enoylamino)methyl]benzamide
CID 61250831
methanol;N-(2-phenylethyl)prop-2-enamide;prop-2-enamide
CID 175300118
benzene;benzylurea;hydrazine
CID 68793593
(E)-N-benzyl-4-oxopent-2-enamide
CID 131237691
N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide
CID 61251310
(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
CID 102438932
N-benzyl-2-methylprop-2-enamide;hydrazine
CID 157480946
(E)-N-benzyl-3-ethoxy-3-hydroxyprop-2-enamide
CID 135040365

Frequently Asked Questions

What is the IUPAC name of N-benzylprop-2-enamide;2,3-dimethylbut-2-enamide?
The IUPAC name of N-benzylprop-2-enamide;2,3-dimethylbut-2-enamide (CID 174986700) is N-benzylprop-2-enamide;2,3-dimethylbut-2-enamide.
What is the SMILES notation for N-benzylprop-2-enamide;2,3-dimethylbut-2-enamide?
The canonical SMILES for N-benzylprop-2-enamide;2,3-dimethylbut-2-enamide is C=CC(=O)NCc1ccccc1.CC(C)=C(C)C(N)=O.
What is the InChIKey of N-benzylprop-2-enamide;2,3-dimethylbut-2-enamide?
The InChIKey is GZVJGKDXVGLBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C6H11NO/c1-2-10(12)11-8-9-6-4-3-5-7-9;1-4(2)5(3)6(7)8/h2-7H,1,8H2,(H,11,12);1-3H3,(H2,7,8).
What are the key properties of N-benzylprop-2-enamide;2,3-dimethylbut-2-enamide?
N-benzylprop-2-enamide;2,3-dimethylbut-2-enamide has a molecular weight of 274.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylprop-2-enamide;2,3-dimethylbut-2-enamide is sourced from PubChem (CID 174986700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).