3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzamide

C16H24N2O2 — CID 65117739

IUPAC3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NCC1(O)CCCC(C)C1
InChIInChI=1S/C16H24N2O2/c1-11-5-4-8-16(20,9-11)10-18-15(19)13-6-3-7-14(17)12(13)2/h3,6-7,11,20H,4-5,8-10,17H2,1-2H3,(H,18,19)
InChIKeyMTKJLHWZSHDXRS-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.25
Rot. Bonds3

About 3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzamide

3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzamide (PubChem CID 65117739) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzamide
PubChem CID65117739
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NCC1(O)CCCC(C)C1
InChIInChI=1S/C16H24N2O2/c1-11-5-4-8-16(20,9-11)10-18-15(19)13-6-3-7-14(17)12(13)2/h3,6-7,11,20H,4-5,8-10,17H2,1-2H3,(H,18,19)
InChIKeyMTKJLHWZSHDXRS-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

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dimethylbenzamide
CID 65124003
3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 65103774
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpyridine-3-carboxamide
CID 79039376
4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide
CID 65123811
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]benzamide
CID 61210410
3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124230
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-dimethylbenzamide
CID 65124144
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
6-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 103916914
6-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 113323631
4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxybenzamide
CID 104783013
3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-methoxybenzamide
CID 65117353

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzamide?
The IUPAC name of 3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzamide (CID 65117739) is 3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzamide?
The canonical SMILES for 3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzamide is Cc1c(N)cccc1C(=O)NCC1(O)CCCC(C)C1.
What is the InChIKey of 3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzamide?
The InChIKey is MTKJLHWZSHDXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-5-4-8-16(20,9-11)10-18-15(19)13-6-3-7-14(17)12(13)2/h3,6-7,11,20H,4-5,8-10,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzamide?
3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-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 3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzamide is sourced from PubChem (CID 65117739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).