4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide

C14H27NO2 — CID 83030657

IUPAC4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
SMILESC[C@H](O)CNC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-10(16)9-15-13(17)11-5-7-12(8-6-11)14(2,3)4/h10-12,16H,5-9H2,1-4H3,(H,15,17)/t10-,11?,12?/m0/s1
InChIKeyCSRSLENOGIKDGT-UNXYVOJBSA-N
MW241.37 g/mol
LogP2.34
Rot. Bonds3

About 4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide

4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide (PubChem CID 83030657) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
PubChem CID83030657
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
SMILESC[C@H](O)CNC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-10(16)9-15-13(17)11-5-7-12(8-6-11)14(2,3)4/h10-12,16H,5-9H2,1-4H3,(H,15,17)/t10-,11?,12?/m0/s1
InChIKeyCSRSLENOGIKDGT-UNXYVOJBSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
4-tert-butyl-N-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide
CID 115744551
4-tert-butyl-N-(2-cyclopropyl-2-hydroxyethyl)cyclohexane-1-carboxamide
CID 63298695
3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-methylpropanoic acid
CID 62674977
4-tert-butyl-N-(3-chloro-2-methylpropyl)cyclohexane-1-carboxamide
CID 114302699
methyl 3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-hydroxypropanoate
CID 103958175
N-[(2S)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide
CID 7172187
1-acetyl-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 43392752
4-tert-butyl-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 62400506
N-(2-bromopropyl)cyclopropanecarboxamide
CID 114308592
N-(3,3-dimethyl-2-propan-2-ylbutyl)cyclopropanecarboxamide
CID 58124356
N-(2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 43418235

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide (CID 83030657) is 4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide is C[C@H](O)CNC(=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide?
The InChIKey is CSRSLENOGIKDGT-UNXYVOJBSA-N. The full InChI is InChI=1S/C14H27NO2/c1-10(16)9-15-13(17)11-5-7-12(8-6-11)14(2,3)4/h10-12,16H,5-9H2,1-4H3,(H,15,17)/t10-,11?,12?/m0/s1.
What are the key properties of 4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide?
4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide has a molecular weight of 241.37 g/mol, XLogP of 2.34, 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-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 83030657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).