5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide

C16H24N2O2 — CID 62527243

IUPAC5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NC1(CO)CCC(C)CC1
InChIInChI=1S/C16H24N2O2/c1-11-5-7-16(10-19,8-6-11)18-15(20)14-9-13(17)4-3-12(14)2/h3-4,9,11,19H,5-8,10,17H2,1-2H3,(H,18,20)
InChIKeyCSMGYRNEKLEQPG-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.25
Rot. Bonds3

About 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide

5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide (PubChem CID 62527243) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
PubChem CID62527243
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NC1(CO)CCC(C)CC1
InChIInChI=1S/C16H24N2O2/c1-11-5-7-16(10-19,8-6-11)18-15(20)14-9-13(17)4-3-12(14)2/h3-4,9,11,19H,5-8,10,17H2,1-2H3,(H,18,20)
InChIKeyCSMGYRNEKLEQPG-UHFFFAOYSA-N
XLogP2.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 82883323
2,4-diamino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527081
2-amino-4-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 63110502
3-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 81471727
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 62525597
2-amino-4,5-difluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527087
5-chloro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527703
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-2-carboxamide
CID 81316686
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,5-dimethylfuran-3-carboxamide
CID 62526454
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzenesulfonamide
CID 62526556
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide
CID 62526492
2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62526979

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide (CID 62527243) is 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide is Cc1ccc(N)cc1C(=O)NC1(CO)CCC(C)CC1.
What is the InChIKey of 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide?
The InChIKey is CSMGYRNEKLEQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-5-7-16(10-19,8-6-11)18-15(20)14-9-13(17)4-3-12(14)2/h3-4,9,11,19H,5-8,10,17H2,1-2H3,(H,18,20).
What are the key properties of 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide?
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide is sourced from PubChem (CID 62527243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).