butyl N-(4-hydroxy-2-pyridin-2-ylcyclohexyl)carbamate

C16H24N2O3 — CID 139650215

IUPACbutyl N-(4-hydroxy-2-pyridin-2-ylcyclohexyl)carbamate
SMILESCCCCOC(=O)NC1CCC(O)CC1c1ccccn1
InChIInChI=1S/C16H24N2O3/c1-2-3-10-21-16(20)18-15-8-7-12(19)11-13(15)14-6-4-5-9-17-14/h4-6,9,12-13,15,19H,2-3,7-8,10-11H2,1H3,(H,18,20)
InChIKeyWTDHTESTFPXUOH-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.60
Rot. Bonds5

About butyl N-(4-hydroxy-2-pyridin-2-ylcyclohexyl)carbamate

butyl N-(4-hydroxy-2-pyridin-2-ylcyclohexyl)carbamate (PubChem CID 139650215) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is butyl N-(4-hydroxy-2-pyridin-2-ylcyclohexyl)carbamate.

Molecular Properties

Compound Namebutyl N-(4-hydroxy-2-pyridin-2-ylcyclohexyl)carbamate
PubChem CID139650215
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namebutyl N-(4-hydroxy-2-pyridin-2-ylcyclohexyl)carbamate
SMILESCCCCOC(=O)NC1CCC(O)CC1c1ccccn1
InChIInChI=1S/C16H24N2O3/c1-2-3-10-21-16(20)18-15-8-7-12(19)11-13(15)14-6-4-5-9-17-14/h4-6,9,12-13,15,19H,2-3,7-8,10-11H2,1H3,(H,18,20)
InChIKeyWTDHTESTFPXUOH-UHFFFAOYSA-N
XLogP2.60
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl N-(3-hydroxycyclobutyl)carbamate
CID 90731053
butyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate
CID 160683329
trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate
CID 66837013
benzyl N-[(1S,2R)-4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 58822147
[2-[2-(butoxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate
CID 123775950
cis-butyl (1R,3S)-3-hydroxycyclopentane-1-carboxylate
CID 165351670
butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 108562788
methyl 2-pyridin-2-ylcyclopropane-1-carboxylate
CID 91647742
butyl N-(2-hydroxy-1,3-dioxan-5-yl)carbamate
CID 144589052
butyl N-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]carbamate
CID 7614508
butyl N-[2-hydroxy-2-(pyrimidin-2-ylmethoxy)ethyl]carbamate
CID 70125416
CID 22135188
CID 22135188

Frequently Asked Questions

What is the IUPAC name of butyl N-(4-hydroxy-2-pyridin-2-ylcyclohexyl)carbamate?
The IUPAC name of butyl N-(4-hydroxy-2-pyridin-2-ylcyclohexyl)carbamate (CID 139650215) is butyl N-(4-hydroxy-2-pyridin-2-ylcyclohexyl)carbamate.
What is the SMILES notation for butyl N-(4-hydroxy-2-pyridin-2-ylcyclohexyl)carbamate?
The canonical SMILES for butyl N-(4-hydroxy-2-pyridin-2-ylcyclohexyl)carbamate is CCCCOC(=O)NC1CCC(O)CC1c1ccccn1.
What is the InChIKey of butyl N-(4-hydroxy-2-pyridin-2-ylcyclohexyl)carbamate?
The InChIKey is WTDHTESTFPXUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-3-10-21-16(20)18-15-8-7-12(19)11-13(15)14-6-4-5-9-17-14/h4-6,9,12-13,15,19H,2-3,7-8,10-11H2,1H3,(H,18,20).
What are the key properties of butyl N-(4-hydroxy-2-pyridin-2-ylcyclohexyl)carbamate?
butyl N-(4-hydroxy-2-pyridin-2-ylcyclohexyl)carbamate has a molecular weight of 292.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(4-hydroxy-2-pyridin-2-ylcyclohexyl)carbamate is sourced from PubChem (CID 139650215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).