propyl N-(oxan-4-yl)carbamate

C9H17NO3 — CID 89062839

IUPACpropyl N-(oxan-4-yl)carbamate
SMILESCCCOC(=O)NC1CCOCC1
InChIInChI=1S/C9H17NO3/c1-2-5-13-9(11)10-8-3-6-12-7-4-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyCNVNXXMJIXAHSA-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.30
Rot. Bonds3

About propyl N-(oxan-4-yl)carbamate

propyl N-(oxan-4-yl)carbamate (PubChem CID 89062839) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is propyl N-(oxan-4-yl)carbamate.

Molecular Properties

Compound Namepropyl N-(oxan-4-yl)carbamate
PubChem CID89062839
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namepropyl N-(oxan-4-yl)carbamate
SMILESCCCOC(=O)NC1CCOCC1
InChIInChI=1S/C9H17NO3/c1-2-5-13-9(11)10-8-3-6-12-7-4-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyCNVNXXMJIXAHSA-UHFFFAOYSA-N
XLogP1.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze propyl N-(oxan-4-yl)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

[4-(propoxycarbonylamino)cyclohexyl]carbamic acid
CID 139823141
ethane;2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate
CID 142542042
octadecyl N-cyclohexylcarbamate
CID 70449091
2-amino-3-methyl-N-(oxan-4-yl)pentanamide
CID 43610144
octyl N-cyclohexylcarbamate
CID 141434119
2-amino-2-methyl-N-(oxan-4-yl)butanamide
CID 79797444
2-amino-4-methyl-N-(oxan-4-yl)pentanamide
CID 43610149
2-hydroxyethyl N-(4-propylcyclohexyl)carbamate
CID 79349163
N-(oxan-4-yl)-2-[2-(propylamino)ethoxy]acetamide
CID 55182455
butyl N-(4-formylcyclohexyl)carbamate
CID 87266632
1,4-dioxane;propyl acetate
CID 175904489
1-(oxolan-3-yl)-3-(3-propoxypropyl)urea
CID 116657253

Frequently Asked Questions

What is the IUPAC name of propyl N-(oxan-4-yl)carbamate?
The IUPAC name of propyl N-(oxan-4-yl)carbamate (CID 89062839) is propyl N-(oxan-4-yl)carbamate.
What is the SMILES notation for propyl N-(oxan-4-yl)carbamate?
The canonical SMILES for propyl N-(oxan-4-yl)carbamate is CCCOC(=O)NC1CCOCC1.
What is the InChIKey of propyl N-(oxan-4-yl)carbamate?
The InChIKey is CNVNXXMJIXAHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-5-13-9(11)10-8-3-6-12-7-4-8/h8H,2-7H2,1H3,(H,10,11).
What are the key properties of propyl N-(oxan-4-yl)carbamate?
propyl N-(oxan-4-yl)carbamate has a molecular weight of 187.24 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(oxan-4-yl)carbamate is sourced from PubChem (CID 89062839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).