N-(cyclohexylmethyl)-3,4-dimethylbenzamide

C16H23NO — CID 55349047

IUPACN-(cyclohexylmethyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC2CCCCC2)cc1C
InChIInChI=1S/C16H23NO/c1-12-8-9-15(10-13(12)2)16(18)17-11-14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3,(H,17,18)
InChIKeyUTPFXCKTIAPVLM-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.61
Rot. Bonds3

About N-(cyclohexylmethyl)-3,4-dimethylbenzamide

N-(cyclohexylmethyl)-3,4-dimethylbenzamide (PubChem CID 55349047) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3,4-dimethylbenzamide
PubChem CID55349047
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(cyclohexylmethyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC2CCCCC2)cc1C
InChIInChI=1S/C16H23NO/c1-12-8-9-15(10-13(12)2)16(18)17-11-14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3,(H,17,18)
InChIKeyUTPFXCKTIAPVLM-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-(cyclohexylmethyl)-4-methylbenzamide
CID 43371353
N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide
CID 55163457
N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide
CID 114147220
N-(cyclohexylmethyl)-4-iodobenzamide
CID 42992498
trans-(1S,2R)-2-[[(3,4-dimethylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108732317
6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide
CID 115353943
3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide
CID 61094001
N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide
CID 106133824
N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 43002218
4-acetamido-N-(cyclohexylmethyl)benzamide
CID 2096141
4-hydroxy-3-methyl-N-[(4-methylcyclohexyl)methyl]benzamide
CID 103956686
N-(cyclopentylmethyl)-4-sulfanylbenzamide
CID 107022611

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3,4-dimethylbenzamide?
The IUPAC name of N-(cyclohexylmethyl)-3,4-dimethylbenzamide (CID 55349047) is N-(cyclohexylmethyl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(cyclohexylmethyl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCC2CCCCC2)cc1C.
What is the InChIKey of N-(cyclohexylmethyl)-3,4-dimethylbenzamide?
The InChIKey is UTPFXCKTIAPVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-8-9-15(10-13(12)2)16(18)17-11-14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3,(H,17,18).
What are the key properties of N-(cyclohexylmethyl)-3,4-dimethylbenzamide?
N-(cyclohexylmethyl)-3,4-dimethylbenzamide has a molecular weight of 245.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3,4-dimethylbenzamide is sourced from PubChem (CID 55349047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).