N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide

C15H22N2O2 — CID 106123416

IUPACN-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCC1CCCC(N)C1
InChIInChI=1S/C15H22N2O2/c1-10-13(6-3-7-14(10)18)15(19)17-9-11-4-2-5-12(16)8-11/h3,6-7,11-12,18H,2,4-5,8-9,16H2,1H3,(H,17,19)
InChIKeyZKDKPMWITYQFIN-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.95
Rot. Bonds3

About N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide

N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide (PubChem CID 106123416) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide
PubChem CID106123416
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCC1CCCC(N)C1
InChIInChI=1S/C15H22N2O2/c1-10-13(6-3-7-14(10)18)15(19)17-9-11-4-2-5-12(16)8-11/h3,6-7,11-12,18H,2,4-5,8-9,16H2,1H3,(H,17,19)
InChIKeyZKDKPMWITYQFIN-UHFFFAOYSA-N
XLogP1.95
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide
CID 82826551
N-[(3-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide
CID 106123350
N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide
CID 106123070
N-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide
CID 106123375
N-[[2-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide
CID 82830986
3-hydroxy-2-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 82829222
2,3-dihydroxy-N-[(3-methylcyclohexyl)methyl]benzamide
CID 107303203
3-bromo-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 103707638
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 82828909
N-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide
CID 106123256
N-[(3-aminocyclohexyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106123533
N-[(3-aminocyclohexyl)methyl]-2,4,6-trimethylbenzamide
CID 106123345

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide (CID 106123416) is N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide is Cc1c(O)cccc1C(=O)NCC1CCCC(N)C1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide?
The InChIKey is ZKDKPMWITYQFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-13(6-3-7-14(10)18)15(19)17-9-11-4-2-5-12(16)8-11/h3,6-7,11-12,18H,2,4-5,8-9,16H2,1H3,(H,17,19).
What are the key properties of N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide?
N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 106123416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).