N-[1-(aminomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide

C15H22N2O2 — CID 63756003

IUPACN-[1-(aminomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(CN)CCCCC2)c(O)c1
InChIInChI=1S/C15H22N2O2/c1-11-5-6-12(13(18)9-11)14(19)17-15(10-16)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8,10,16H2,1H3,(H,17,19)
InChIKeyWKFQMDAJHDVIGC-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.09
Rot. Bonds3

About N-[1-(aminomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide

N-[1-(aminomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide (PubChem CID 63756003) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide
PubChem CID63756003
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(CN)CCCCC2)c(O)c1
InChIInChI=1S/C15H22N2O2/c1-11-5-6-12(13(18)9-11)14(19)17-15(10-16)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8,10,16H2,1H3,(H,17,19)
InChIKeyWKFQMDAJHDVIGC-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide
CID 107726341
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-hydroxy-4-methylbenzamide
CID 63754048
2-hydroxy-4-methyl-N-(1-methylcyclohexyl)benzamide
CID 61216850
N-(1-carbamothioylcyclohexyl)-2-hydroxy-4-methylbenzamide
CID 61120929
N-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide
CID 107672060
N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82883175
N-[4-(bromomethyl)oxan-4-yl]-2-hydroxy-4-methylbenzamide
CID 106304683
N-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide
CID 107726347
2-[1-[(2-hydroxy-5-methylbenzoyl)amino]cyclopentyl]acetic acid
CID 64672001
2-hydroxy-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
CID 63821027
N-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide
CID 114311355
N-[1-(aminomethyl)cyclopentyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119568364

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide (CID 63756003) is N-[1-(aminomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NC2(CN)CCCCC2)c(O)c1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide?
The InChIKey is WKFQMDAJHDVIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-5-6-12(13(18)9-11)14(19)17-15(10-16)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8,10,16H2,1H3,(H,17,19).
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide?
N-[1-(aminomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 63756003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).