4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide

C18H27NO2 — CID 103691136

IUPAC4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC2CCCC(O)C2)cc1
InChIInChI=1S/C18H27NO2/c1-18(2,3)15-9-7-14(8-10-15)17(21)19-12-13-5-4-6-16(20)11-13/h7-10,13,16,20H,4-6,11-12H2,1-3H3,(H,19,21)
InChIKeyROUCFGJQMCTVMB-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.27
Rot. Bonds3

About 4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide

4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide (PubChem CID 103691136) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
PubChem CID103691136
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC2CCCC(O)C2)cc1
InChIInChI=1S/C18H27NO2/c1-18(2,3)15-9-7-14(8-10-15)17(21)19-12-13-5-4-6-16(20)11-13/h7-10,13,16,20H,4-6,11-12H2,1-3H3,(H,19,21)
InChIKeyROUCFGJQMCTVMB-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
3,4-dihydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103957239
N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
CID 103691279
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
6-(dimethylamino)-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 103690739
3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 111460374
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103728999
4-[[ethyl(propan-2-yl)amino]methyl]-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 111459679
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide
CID 110025506
2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide
CID 106135154
2-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide
CID 111460360
N-[(3-hydroxycyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 111460488

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide (CID 103691136) is 4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide is CC(C)(C)c1ccc(C(=O)NCC2CCCC(O)C2)cc1.
What is the InChIKey of 4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is ROUCFGJQMCTVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-18(2,3)15-9-7-14(8-10-15)17(21)19-12-13-5-4-6-16(20)11-13/h7-10,13,16,20H,4-6,11-12H2,1-3H3,(H,19,21).
What are the key properties of 4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide?
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 289.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 103691136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).