tert-butyl N-(1-cyclohexyl-3-hydroxy-3-pyridin-2-ylpropyl)carbamate

C19H30N2O3 — CID 70041530

IUPACtert-butyl N-(1-cyclohexyl-3-hydroxy-3-pyridin-2-ylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NC(CC(O)c1ccccn1)C1CCCCC1
InChIInChI=1S/C19H30N2O3/c1-19(2,3)24-18(23)21-16(14-9-5-4-6-10-14)13-17(22)15-11-7-8-12-20-15/h7-8,11-12,14,16-17,22H,4-6,9-10,13H2,1-3H3,(H,21,23)
InChIKeyZAJXBEWUYSHQDS-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.98
Rot. Bonds5

About tert-butyl N-(1-cyclohexyl-3-hydroxy-3-pyridin-2-ylpropyl)carbamate

tert-butyl N-(1-cyclohexyl-3-hydroxy-3-pyridin-2-ylpropyl)carbamate (PubChem CID 70041530) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl N-(1-cyclohexyl-3-hydroxy-3-pyridin-2-ylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-cyclohexyl-3-hydroxy-3-pyridin-2-ylpropyl)carbamate
PubChem CID70041530
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nametert-butyl N-(1-cyclohexyl-3-hydroxy-3-pyridin-2-ylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NC(CC(O)c1ccccn1)C1CCCCC1
InChIInChI=1S/C19H30N2O3/c1-19(2,3)24-18(23)21-16(14-9-5-4-6-10-14)13-17(22)15-11-7-8-12-20-15/h7-8,11-12,14,16-17,22H,4-6,9-10,13H2,1-3H3,(H,21,23)
InChIKeyZAJXBEWUYSHQDS-UHFFFAOYSA-N
XLogP3.98
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(1-cyclohexyl-3-hydroxy-3-pyridin-2-ylpropyl)carbamate 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

tert-butyl N-[(1S,3S)-1-cyclohexyl-3-hydroxybutyl]carbamate
CID 101197526
tert-butyl N-[1-cyclopropyl-2-(pyridin-2-ylmethylamino)ethyl]carbamate
CID 103872270
tert-butyl N-(1-cyclohexyl-3-hydroxypropyl)carbamate
CID 24729723
tert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate
CID 10728628
tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
CID 91195138
(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid
CID 124654287
tert-butyl N-[(3R)-1-[(1R)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate
CID 98232041
tert-butyl N-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate
CID 99725150
tert-butyl N-(3-bromo-1-cyclohexylpropyl)carbamate
CID 24730282
tert-butyl N-[(1R)-1-[(3S)-1-pyridin-2-ylpiperidin-3-yl]ethyl]carbamate
CID 97086186
tert-butyl N-[(1R)-1-cyclohexyl-2-nitroethyl]carbamate
CID 71474893
tert-butyl N-[2-(6-chloro-3-pyridinyl)-1-cyclobutylethyl]carbamate
CID 155702899

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-cyclohexyl-3-hydroxy-3-pyridin-2-ylpropyl)carbamate?
The IUPAC name of tert-butyl N-(1-cyclohexyl-3-hydroxy-3-pyridin-2-ylpropyl)carbamate (CID 70041530) is tert-butyl N-(1-cyclohexyl-3-hydroxy-3-pyridin-2-ylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-cyclohexyl-3-hydroxy-3-pyridin-2-ylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(1-cyclohexyl-3-hydroxy-3-pyridin-2-ylpropyl)carbamate is CC(C)(C)OC(=O)NC(CC(O)c1ccccn1)C1CCCCC1.
What is the InChIKey of tert-butyl N-(1-cyclohexyl-3-hydroxy-3-pyridin-2-ylpropyl)carbamate?
The InChIKey is ZAJXBEWUYSHQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-19(2,3)24-18(23)21-16(14-9-5-4-6-10-14)13-17(22)15-11-7-8-12-20-15/h7-8,11-12,14,16-17,22H,4-6,9-10,13H2,1-3H3,(H,21,23).
What are the key properties of tert-butyl N-(1-cyclohexyl-3-hydroxy-3-pyridin-2-ylpropyl)carbamate?
tert-butyl N-(1-cyclohexyl-3-hydroxy-3-pyridin-2-ylpropyl)carbamate has a molecular weight of 334.46 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-cyclohexyl-3-hydroxy-3-pyridin-2-ylpropyl)carbamate is sourced from PubChem (CID 70041530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).