N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,4,6-trimethylbenzamide

C18H27NO2 — CID 65120092

IUPACN-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC2(O)CCC(C)CC2)c(C)c1
InChIInChI=1S/C18H27NO2/c1-12-5-7-18(21,8-6-12)11-19-17(20)16-14(3)9-13(2)10-15(16)4/h9-10,12,21H,5-8,11H2,1-4H3,(H,19,20)
InChIKeyHRVUGPNIHGSSJN-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.28
Rot. Bonds3

About N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,4,6-trimethylbenzamide

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,4,6-trimethylbenzamide (PubChem CID 65120092) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,4,6-trimethylbenzamide
PubChem CID65120092
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC2(O)CCC(C)CC2)c(C)c1
InChIInChI=1S/C18H27NO2/c1-12-5-7-18(21,8-6-12)11-19-17(20)16-14(3)9-13(2)10-15(16)4/h9-10,12,21H,5-8,11H2,1-4H3,(H,19,20)
InChIKeyHRVUGPNIHGSSJN-UHFFFAOYSA-N
XLogP3.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119060
N-[1-(chloromethyl)-4-methylcyclohexyl]-2,4,6-trimethylbenzamide
CID 114304211
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2,4,6-trimethylbenzamide
CID 90581082
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylthiophene-2-carboxamide
CID 65118919
4-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
CID 65119775
3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylthiophene-2-carboxamide
CID 103403171
2,5-dibromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-3-carboxamide
CID 107962266
2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 106502468
4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119782
(1-hydroxy-4-methylcyclohexyl)methylurea
CID 65121718
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,4,6-trimethylbenzamide
CID 114751380
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-methylpyridine-2-carboxamide
CID 65118974

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,4,6-trimethylbenzamide?
The IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,4,6-trimethylbenzamide (CID 65120092) is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,4,6-trimethylbenzamide?
The canonical SMILES for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)NCC2(O)CCC(C)CC2)c(C)c1.
What is the InChIKey of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,4,6-trimethylbenzamide?
The InChIKey is HRVUGPNIHGSSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-12-5-7-18(21,8-6-12)11-19-17(20)16-14(3)9-13(2)10-15(16)4/h9-10,12,21H,5-8,11H2,1-4H3,(H,19,20).
What are the key properties of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,4,6-trimethylbenzamide?
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,4,6-trimethylbenzamide has a molecular weight of 289.42 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,4,6-trimethylbenzamide is sourced from PubChem (CID 65120092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).