tert-butyl N-[4-(3-hydroxypropyl)cyclohexyl]carbamate

C14H27NO3 — CID 24720927

IUPACtert-butyl N-[4-(3-hydroxypropyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(CCCO)CC1
InChIInChI=1S/C14H27NO3/c1-14(2,3)18-13(17)15-12-8-6-11(7-9-12)5-4-10-16/h11-12,16H,4-10H2,1-3H3,(H,15,17)
InChIKeyVUUKLWPNFXOFGM-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.84
Rot. Bonds4

About tert-butyl N-[4-(3-hydroxypropyl)cyclohexyl]carbamate

tert-butyl N-[4-(3-hydroxypropyl)cyclohexyl]carbamate (PubChem CID 24720927) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl N-[4-(3-hydroxypropyl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3-hydroxypropyl)cyclohexyl]carbamate
PubChem CID24720927
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl N-[4-(3-hydroxypropyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(CCCO)CC1
InChIInChI=1S/C14H27NO3/c1-14(2,3)18-13(17)15-12-8-6-11(7-9-12)5-4-10-16/h11-12,16H,4-10H2,1-3H3,(H,15,17)
InChIKeyVUUKLWPNFXOFGM-UHFFFAOYSA-N
XLogP2.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[4-(3-hydroxypropyl)cyclohexyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3-hydroxypropyl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(3-hydroxypropyl)cyclohexyl]carbamate (CID 24720927) is tert-butyl N-[4-(3-hydroxypropyl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(3-hydroxypropyl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(3-hydroxypropyl)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(CCCO)CC1.
What is the InChIKey of tert-butyl N-[4-(3-hydroxypropyl)cyclohexyl]carbamate?
The InChIKey is VUUKLWPNFXOFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-14(2,3)18-13(17)15-12-8-6-11(7-9-12)5-4-10-16/h11-12,16H,4-10H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-[4-(3-hydroxypropyl)cyclohexyl]carbamate?
tert-butyl N-[4-(3-hydroxypropyl)cyclohexyl]carbamate has a molecular weight of 257.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(3-hydroxypropyl)cyclohexyl]carbamate is sourced from PubChem (CID 24720927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).