N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxane-3-carboxamide

C17H31NO3 — CID 111115377

IUPACN-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxane-3-carboxamide
SMILESCC(C)(C)C1CCC(O)(CNC(=O)C2CCCOC2)CC1
InChIInChI=1S/C17H31NO3/c1-16(2,3)14-6-8-17(20,9-7-14)12-18-15(19)13-5-4-10-21-11-13/h13-14,20H,4-12H2,1-3H3,(H,18,19)
InChIKeyKADLRBOUMQREDQ-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.50
Rot. Bonds3

About N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxane-3-carboxamide

N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxane-3-carboxamide (PubChem CID 111115377) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxane-3-carboxamide
PubChem CID111115377
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC NameN-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxane-3-carboxamide
SMILESCC(C)(C)C1CCC(O)(CNC(=O)C2CCCOC2)CC1
InChIInChI=1S/C17H31NO3/c1-16(2,3)14-6-8-17(20,9-7-14)12-18-15(19)13-5-4-10-21-11-13/h13-14,20H,4-12H2,1-3H3,(H,18,19)
InChIKeyKADLRBOUMQREDQ-UHFFFAOYSA-N
XLogP2.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxolane-3-carboxamide
CID 95325025
N-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide
CID 79039521
methyl 4-hydroxy-4-[(oxolane-3-carbonylamino)methyl]cyclohexane-1-carboxylate
CID 112535165
N-[[1-(hydroxymethyl)cyclopentyl]methyl]oxane-3-carboxamide
CID 113294474
N-[[1-(aminomethyl)cyclopentyl]methyl]oxane-3-carboxamide
CID 115365575
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-4-methyloxane-4-carboxamide
CID 56787801
N-[(1-hydroxy-4-methylcyclohexyl)methyl]cyclopropanecarboxamide
CID 65119591
N-[(2-hydroxycyclohexyl)methyl]oxane-3-carboxamide
CID 64911747
N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
CID 127304188
1-acetyl-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 111434286
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 65121763
N-(3-amino-3-sulfanylidenepropyl)oxane-3-carboxamide
CID 63014889

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxane-3-carboxamide?
The IUPAC name of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxane-3-carboxamide (CID 111115377) is N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxane-3-carboxamide.
What is the SMILES notation for N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxane-3-carboxamide?
The canonical SMILES for N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxane-3-carboxamide is CC(C)(C)C1CCC(O)(CNC(=O)C2CCCOC2)CC1.
What is the InChIKey of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxane-3-carboxamide?
The InChIKey is KADLRBOUMQREDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-16(2,3)14-6-8-17(20,9-7-14)12-18-15(19)13-5-4-10-21-11-13/h13-14,20H,4-12H2,1-3H3,(H,18,19).
What are the key properties of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxane-3-carboxamide?
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxane-3-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxane-3-carboxamide is sourced from PubChem (CID 111115377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).