N-methyl-4-[[(2-methylcyclopropanecarbonyl)amino]methyl]benzamide

C14H18N2O2 — CID 42953153

IUPACN-methyl-4-[[(2-methylcyclopropanecarbonyl)amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CNC(=O)C2CC2C)cc1
InChIInChI=1S/C14H18N2O2/c1-9-7-12(9)14(18)16-8-10-3-5-11(6-4-10)13(17)15-2/h3-6,9,12H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyZIROSSVMJZRSJC-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.32
Rot. Bonds4

About N-methyl-4-[[(2-methylcyclopropanecarbonyl)amino]methyl]benzamide

N-methyl-4-[[(2-methylcyclopropanecarbonyl)amino]methyl]benzamide (PubChem CID 42953153) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-methyl-4-[[(2-methylcyclopropanecarbonyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[(2-methylcyclopropanecarbonyl)amino]methyl]benzamide
PubChem CID42953153
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-methyl-4-[[(2-methylcyclopropanecarbonyl)amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CNC(=O)C2CC2C)cc1
InChIInChI=1S/C14H18N2O2/c1-9-7-12(9)14(18)16-8-10-3-5-11(6-4-10)13(17)15-2/h3-6,9,12H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyZIROSSVMJZRSJC-UHFFFAOYSA-N
XLogP1.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 47148508
N-(4-fluorophenyl)-4-[[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide
CID 97022969
N-[[4-(bromomethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 107233713
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 7772441
trans-(1R,2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 25344132
N-[[4-(2-aminoethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 62501487
tert-butyl (2S,3R)-2-methyl-3-[[4-(methylcarbamoyl)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 99790286
N-[[4-(methylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide
CID 47160865
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
trans-(1R,2R)-2-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 31592161
N-methyl-4-[[methyl-[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide
CID 8964688

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(2-methylcyclopropanecarbonyl)amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[(2-methylcyclopropanecarbonyl)amino]methyl]benzamide (CID 42953153) is N-methyl-4-[[(2-methylcyclopropanecarbonyl)amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[(2-methylcyclopropanecarbonyl)amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[(2-methylcyclopropanecarbonyl)amino]methyl]benzamide is CNC(=O)c1ccc(CNC(=O)C2CC2C)cc1.
What is the InChIKey of N-methyl-4-[[(2-methylcyclopropanecarbonyl)amino]methyl]benzamide?
The InChIKey is ZIROSSVMJZRSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-7-12(9)14(18)16-8-10-3-5-11(6-4-10)13(17)15-2/h3-6,9,12H,7-8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-methyl-4-[[(2-methylcyclopropanecarbonyl)amino]methyl]benzamide?
N-methyl-4-[[(2-methylcyclopropanecarbonyl)amino]methyl]benzamide has a molecular weight of 246.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(2-methylcyclopropanecarbonyl)amino]methyl]benzamide is sourced from PubChem (CID 42953153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).