N-[1-(aminomethyl)-4-methylcyclohexyl]-2-hydroxy-4-methoxybenzamide

C16H24N2O3 — CID 63767056

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(CN)CCC(C)CC2)c(O)c1
InChIInChI=1S/C16H24N2O3/c1-11-5-7-16(10-17,8-6-11)18-15(20)13-4-3-12(21-2)9-14(13)19/h3-4,9,11,19H,5-8,10,17H2,1-2H3,(H,18,20)
InChIKeyNMOLEAABPUKIGG-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.04
Rot. Bonds4

About N-[1-(aminomethyl)-4-methylcyclohexyl]-2-hydroxy-4-methoxybenzamide

N-[1-(aminomethyl)-4-methylcyclohexyl]-2-hydroxy-4-methoxybenzamide (PubChem CID 63767056) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-2-hydroxy-4-methoxybenzamide
PubChem CID63767056
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(CN)CCC(C)CC2)c(O)c1
InChIInChI=1S/C16H24N2O3/c1-11-5-7-16(10-17,8-6-11)18-15(20)13-4-3-12(21-2)9-14(13)19/h3-4,9,11,19H,5-8,10,17H2,1-2H3,(H,18,20)
InChIKeyNMOLEAABPUKIGG-UHFFFAOYSA-N
XLogP2.04
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide
CID 107726347
N-[1-(bromomethyl)cyclopentyl]-2-hydroxy-4-methoxybenzamide
CID 114311329
N-[1-(aminomethyl)cyclopentyl]-2-fluoro-4-methoxybenzamide
CID 103806873
N-[1-(chloromethyl)cyclohexyl]-2-hydroxy-4-methoxybenzamide
CID 114303332
N-[1-(aminomethyl)-4-methylcyclohexyl]-3-hydroxybenzamide
CID 63765152
4-fluoro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 104630770
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62525620
N-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide
CID 107726341
2-hydroxy-4-methoxy-N-(1-methylcyclobutyl)benzamide
CID 113346628
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-hydroxy-4-methylbenzamide
CID 63754048
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-fluoro-5-methylbenzamide
CID 63766481
2-hydroxy-4-methoxy-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide
CID 139011396

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-2-hydroxy-4-methoxybenzamide (CID 63767056) is N-[1-(aminomethyl)-4-methylcyclohexyl]-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NC2(CN)CCC(C)CC2)c(O)c1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-2-hydroxy-4-methoxybenzamide?
The InChIKey is NMOLEAABPUKIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-5-7-16(10-17,8-6-11)18-15(20)13-4-3-12(21-2)9-14(13)19/h3-4,9,11,19H,5-8,10,17H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-2-hydroxy-4-methoxybenzamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-hydroxy-4-methoxybenzamide has a molecular weight of 292.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 63767056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).