4-methyl-N-(2-methylprop-2-enyl)-N-(oxiran-2-ylmethyl)benzamide

C15H19NO2 — CID 88653564

IUPAC4-methyl-N-(2-methylprop-2-enyl)-N-(oxiran-2-ylmethyl)benzamide
SMILESC=C(C)CN(CC1CO1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C15H19NO2/c1-11(2)8-16(9-14-10-18-14)15(17)13-6-4-12(3)5-7-13/h4-7,14H,1,8-10H2,2-3H3
InChIKeyAXEMNBVMSKTOJE-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.41
Rot. Bonds5

About 4-methyl-N-(2-methylprop-2-enyl)-N-(oxiran-2-ylmethyl)benzamide

4-methyl-N-(2-methylprop-2-enyl)-N-(oxiran-2-ylmethyl)benzamide (PubChem CID 88653564) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-methyl-N-(2-methylprop-2-enyl)-N-(oxiran-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylprop-2-enyl)-N-(oxiran-2-ylmethyl)benzamide
PubChem CID88653564
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-methyl-N-(2-methylprop-2-enyl)-N-(oxiran-2-ylmethyl)benzamide
SMILESC=C(C)CN(CC1CO1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C15H19NO2/c1-11(2)8-16(9-14-10-18-14)15(17)13-6-4-12(3)5-7-13/h4-7,14H,1,8-10H2,2-3H3
InChIKeyAXEMNBVMSKTOJE-UHFFFAOYSA-N
XLogP2.41
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methylprop-2-enyl)benzamide
CID 134008813
N-ethyl-N-(2-methylprop-2-enyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 78800219
4-methyl-N-[[(2S)-oxiran-2-yl]methyl]benzamide
CID 97180653
N-ethyl-4-[(4-methylphenyl)sulfamoyl]-N-(2-methylprop-2-enyl)benzamide
CID 29265946
N-(furan-2-ylmethyl)-4-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 42803260
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1059457
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
N-(1,4-dioxan-2-ylmethyl)-4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3214370
4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46059580
methyl 1,3,5-trimethyl-4-[2-[(4-methylbenzoyl)-(oxolan-2-ylmethyl)amino]acetyl]pyrrole-2-carboxylate
CID 42676988
ethyl 3,5-dimethyl-4-[2-[(4-methylbenzoyl)-(oxolan-2-ylmethyl)amino]acetyl]-1H-pyrrole-2-carboxylate
CID 42671271
(4-methylbenzoyl)oxy-[[5-[(4-methylbenzoyl)oxymercuriomethyl]-1,4-dioxan-2-yl]methyl]mercury
CID 16683666

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylprop-2-enyl)-N-(oxiran-2-ylmethyl)benzamide?
The IUPAC name of 4-methyl-N-(2-methylprop-2-enyl)-N-(oxiran-2-ylmethyl)benzamide (CID 88653564) is 4-methyl-N-(2-methylprop-2-enyl)-N-(oxiran-2-ylmethyl)benzamide.
What is the SMILES notation for 4-methyl-N-(2-methylprop-2-enyl)-N-(oxiran-2-ylmethyl)benzamide?
The canonical SMILES for 4-methyl-N-(2-methylprop-2-enyl)-N-(oxiran-2-ylmethyl)benzamide is C=C(C)CN(CC1CO1)C(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(2-methylprop-2-enyl)-N-(oxiran-2-ylmethyl)benzamide?
The InChIKey is AXEMNBVMSKTOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11(2)8-16(9-14-10-18-14)15(17)13-6-4-12(3)5-7-13/h4-7,14H,1,8-10H2,2-3H3.
What are the key properties of 4-methyl-N-(2-methylprop-2-enyl)-N-(oxiran-2-ylmethyl)benzamide?
4-methyl-N-(2-methylprop-2-enyl)-N-(oxiran-2-ylmethyl)benzamide has a molecular weight of 245.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylprop-2-enyl)-N-(oxiran-2-ylmethyl)benzamide is sourced from PubChem (CID 88653564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).