N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(methoxymethyl)benzamide

C17H25NO3 — CID 65124255

IUPACN-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NCC2(O)CCCC(C)C2)c1
InChIInChI=1S/C17H25NO3/c1-13-5-4-8-17(20,10-13)12-18-16(19)15-7-3-6-14(9-15)11-21-2/h3,6-7,9,13,20H,4-5,8,10-12H2,1-2H3,(H,18,19)
InChIKeyUXOKJTIUFKCONI-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.50
Rot. Bonds5

About N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(methoxymethyl)benzamide

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(methoxymethyl)benzamide (PubChem CID 65124255) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(methoxymethyl)benzamide
PubChem CID65124255
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NCC2(O)CCCC(C)C2)c1
InChIInChI=1S/C17H25NO3/c1-13-5-4-8-17(20,10-13)12-18-16(19)15-7-3-6-14(9-15)11-21-2/h3,6-7,9,13,20H,4-5,8,10-12H2,1-2H3,(H,18,19)
InChIKeyUXOKJTIUFKCONI-UHFFFAOYSA-N
XLogP2.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124230
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-dimethylbenzamide
CID 65124144
4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide
CID 65123811
3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-methoxybenzamide
CID 65117353
4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxybenzamide
CID 104783013
4-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbenzamide
CID 103957333
N-(1-adamantylmethyl)-3-(methoxymethyl)benzamide
CID 28538241
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-(methoxymethyl)benzamide
CID 124962659
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(methylsulfanylmethyl)benzamide
CID 65120362
3-(methoxymethyl)-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 51316458
4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124137
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide
CID 65124108

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(methoxymethyl)benzamide?
The IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(methoxymethyl)benzamide (CID 65124255) is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(methoxymethyl)benzamide?
The canonical SMILES for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(methoxymethyl)benzamide is COCc1cccc(C(=O)NCC2(O)CCCC(C)C2)c1.
What is the InChIKey of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(methoxymethyl)benzamide?
The InChIKey is UXOKJTIUFKCONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13-5-4-8-17(20,10-13)12-18-16(19)15-7-3-6-14(9-15)11-21-2/h3,6-7,9,13,20H,4-5,8,10-12H2,1-2H3,(H,18,19).
What are the key properties of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(methoxymethyl)benzamide?
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(methoxymethyl)benzamide has a molecular weight of 291.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(methoxymethyl)benzamide is sourced from PubChem (CID 65124255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).