N-[(3-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide

C15H22N2O2 — CID 106123350

IUPACN-[(3-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NCC2CCCC(N)C2)c1
InChIInChI=1S/C15H22N2O2/c1-10-5-6-14(18)13(7-10)15(19)17-9-11-3-2-4-12(16)8-11/h5-7,11-12,18H,2-4,8-9,16H2,1H3,(H,17,19)
InChIKeyMWRNNQFZXFCRMX-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.95
Rot. Bonds3

About N-[(3-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide

N-[(3-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide (PubChem CID 106123350) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide
PubChem CID106123350
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(3-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NCC2CCCC(N)C2)c1
InChIInChI=1S/C15H22N2O2/c1-10-5-6-14(18)13(7-10)15(19)17-9-11-3-2-4-12(16)8-11/h5-7,11-12,18H,2-4,8-9,16H2,1H3,(H,17,19)
InChIKeyMWRNNQFZXFCRMX-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-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide
CID 106124287
2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 103279879
N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide
CID 106123416
N-[(3-aminocyclopentyl)methyl]-2-methoxy-5-methylbenzamide
CID 106121411
N-[(3-aminocyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide
CID 106123913
N-[(3-aminocyclohexyl)methyl]-2,4,6-trimethylbenzamide
CID 106123345
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 103733972
N-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide
CID 106123256
5-fluoro-2-hydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103739156
N-[(3-aminocyclohexyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106123533
N-[(3-aminocyclohexyl)methyl]-2,4-dimethoxybenzamide
CID 106123339
N-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide
CID 106123375

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide (CID 106123350) is N-[(3-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide is Cc1ccc(O)c(C(=O)NCC2CCCC(N)C2)c1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide?
The InChIKey is MWRNNQFZXFCRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-5-6-14(18)13(7-10)15(19)17-9-11-3-2-4-12(16)8-11/h5-7,11-12,18H,2-4,8-9,16H2,1H3,(H,17,19).
What are the key properties of N-[(3-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide?
N-[(3-aminocyclohexyl)methyl]-2-hydroxy-5-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]-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 106123350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).