N-[(2,2-dimethylcyclopropyl)methyl]-2-methyl-4-(methylamino)benzamide

C15H22N2O — CID 114109638

IUPACN-[(2,2-dimethylcyclopropyl)methyl]-2-methyl-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)NCC2CC2(C)C)c(C)c1
InChIInChI=1S/C15H22N2O/c1-10-7-12(16-4)5-6-13(10)14(18)17-9-11-8-15(11,2)3/h5-7,11,16H,8-9H2,1-4H3,(H,17,18)
InChIKeyGSZSKQAJFYQALO-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.81
Rot. Bonds4

About N-[(2,2-dimethylcyclopropyl)methyl]-2-methyl-4-(methylamino)benzamide

N-[(2,2-dimethylcyclopropyl)methyl]-2-methyl-4-(methylamino)benzamide (PubChem CID 114109638) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)methyl]-2-methyl-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)methyl]-2-methyl-4-(methylamino)benzamide
PubChem CID114109638
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[(2,2-dimethylcyclopropyl)methyl]-2-methyl-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)NCC2CC2(C)C)c(C)c1
InChIInChI=1S/C15H22N2O/c1-10-7-12(16-4)5-6-13(10)14(18)17-9-11-8-15(11,2)3/h5-7,11,16H,8-9H2,1-4H3,(H,17,18)
InChIKeyGSZSKQAJFYQALO-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2-methylbenzamide
CID 103820451
N-[(2,2-dimethylcyclopropyl)methyl]-3,4,5-trifluorobenzamide
CID 113234698
2-amino-N-[(2,2-dimethylcyclopropyl)methyl]-5-nitrobenzamide
CID 102977008
4-hydrazinyl-2-methyl-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107415330
2-methyl-4-(methylamino)-N-(2-methylcyclopentyl)benzamide
CID 113400211
N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxy-4-methoxybenzamide
CID 103728984
2-methyl-4-(methylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106106392
4-hydrazinyl-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 113400240
2-methyl-4-(methylamino)-N-thiophen-3-ylbenzamide
CID 113400222
5-bromo-N-[(2,2-dimethylcyclopropyl)methyl]furan-2-carboxamide
CID 103659452
2-amino-5-[(2,2-dimethylcyclopropyl)methylamino]-3-methylbenzoic acid
CID 114107443
(2,2-dimethylpyrrolidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone
CID 113400210

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-2-methyl-4-(methylamino)benzamide?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-2-methyl-4-(methylamino)benzamide (CID 114109638) is N-[(2,2-dimethylcyclopropyl)methyl]-2-methyl-4-(methylamino)benzamide.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)methyl]-2-methyl-4-(methylamino)benzamide?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)methyl]-2-methyl-4-(methylamino)benzamide is CNc1ccc(C(=O)NCC2CC2(C)C)c(C)c1.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)methyl]-2-methyl-4-(methylamino)benzamide?
The InChIKey is GSZSKQAJFYQALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-7-12(16-4)5-6-13(10)14(18)17-9-11-8-15(11,2)3/h5-7,11,16H,8-9H2,1-4H3,(H,17,18).
What are the key properties of N-[(2,2-dimethylcyclopropyl)methyl]-2-methyl-4-(methylamino)benzamide?
N-[(2,2-dimethylcyclopropyl)methyl]-2-methyl-4-(methylamino)benzamide has a molecular weight of 246.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)methyl]-2-methyl-4-(methylamino)benzamide is sourced from PubChem (CID 114109638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).