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

C16H29NO3 — CID 95325025

IUPAC(3S)-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxolane-3-carboxamide
SMILESCC(C)(C)C1CCC(O)(CNC(=O)[C@H]2CCOC2)CC1
InChIInChI=1S/C16H29NO3/c1-15(2,3)13-4-7-16(19,8-5-13)11-17-14(18)12-6-9-20-10-12/h12-13,19H,4-11H2,1-3H3,(H,17,18)/t12-,13?,16?/m0/s1
InChIKeyZDCFAUVFBWARNM-FUJMWEONSA-N
MW283.41 g/mol
LogP2.11
Rot. Bonds3

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

(3S)-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxolane-3-carboxamide (PubChem CID 95325025) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is (3S)-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxolane-3-carboxamide
PubChem CID95325025
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name(3S)-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxolane-3-carboxamide
SMILESCC(C)(C)C1CCC(O)(CNC(=O)[C@H]2CCOC2)CC1
InChIInChI=1S/C16H29NO3/c1-15(2,3)13-4-7-16(19,8-5-13)11-17-14(18)12-6-9-20-10-12/h12-13,19H,4-11H2,1-3H3,(H,17,18)/t12-,13?,16?/m0/s1
InChIKeyZDCFAUVFBWARNM-FUJMWEONSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxane-3-carboxamide
CID 111115377
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-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
CID 127304188
N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]oxolane-3-carboxamide
CID 146074749
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-4-methyloxane-4-carboxamide
CID 56787801
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide
CID 107301644
N-[[1-(chloromethyl)cyclohexyl]methyl]oxolane-3-carboxamide
CID 103969555
N-[(1-hydroxy-4-methylcyclohexyl)methyl]cyclopropanecarboxamide
CID 65119591
N-[[1-(2-aminoethyl)cyclopropyl]methyl]oxolane-3-carboxamide
CID 114758784
N-(2-amino-4,4-dimethylpentyl)oxolane-3-carboxamide
CID 107158348
N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 126987345

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxolane-3-carboxamide (CID 95325025) is (3S)-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxolane-3-carboxamide is CC(C)(C)C1CCC(O)(CNC(=O)[C@H]2CCOC2)CC1.
What is the InChIKey of (3S)-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxolane-3-carboxamide?
The InChIKey is ZDCFAUVFBWARNM-FUJMWEONSA-N. The full InChI is InChI=1S/C16H29NO3/c1-15(2,3)13-4-7-16(19,8-5-13)11-17-14(18)12-6-9-20-10-12/h12-13,19H,4-11H2,1-3H3,(H,17,18)/t12-,13?,16?/m0/s1.
What are the key properties of (3S)-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxolane-3-carboxamide?
(3S)-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxolane-3-carboxamide has a molecular weight of 283.41 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 95325025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).