N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide

C16H23NO2 — CID 106123854

IUPACN-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCC2CCC(O)CC2)c1C
InChIInChI=1S/C16H23NO2/c1-11-4-3-5-15(12(11)2)16(19)17-10-13-6-8-14(18)9-7-13/h3-5,13-14,18H,6-10H2,1-2H3,(H,17,19)
InChIKeyFJLNSFLWCDPMOB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.58
Rot. Bonds3

About N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide

N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide (PubChem CID 106123854) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide
PubChem CID106123854
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCC2CCC(O)CC2)c1C
InChIInChI=1S/C16H23NO2/c1-11-4-3-5-15(12(11)2)16(19)17-10-13-6-8-14(18)9-7-13/h3-5,13-14,18H,6-10H2,1-2H3,(H,17,19)
InChIKeyFJLNSFLWCDPMOB-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(4-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 114146596
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide
CID 106124188
3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119090
N-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide
CID 81480761
N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylthiophene-3-carboxamide
CID 114146362
N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide
CID 82826551
N-[(3-hydroxycyclopentyl)methyl]-3-methyl-2-nitrobenzamide
CID 103280585
2-(2,3-dimethylphenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106124065
N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide
CID 106128335
3-hydroxy-2-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 82829222
N-(cyclopropylmethyl)-2-methyl-3-piperidin-4-ylbenzamide
CID 171362054
2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 106124243

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide (CID 106123854) is N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide is Cc1cccc(C(=O)NCC2CCC(O)CC2)c1C.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide?
The InChIKey is FJLNSFLWCDPMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-4-3-5-15(12(11)2)16(19)17-10-13-6-8-14(18)9-7-13/h3-5,13-14,18H,6-10H2,1-2H3,(H,17,19).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide?
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide has a molecular weight of 261.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide is sourced from PubChem (CID 106123854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).