2-hydroxyethyl N-(3-propoxypropyl)carbamate

C9H19NO4 — CID 82947518

IUPAC2-hydroxyethyl N-(3-propoxypropyl)carbamate
SMILESCCCOCCCNC(=O)OCCO
InChIInChI=1S/C9H19NO4/c1-2-6-13-7-3-4-10-9(12)14-8-5-11/h11H,2-8H2,1H3,(H,10,12)
InChIKeyBWOXAJAHNLTUNU-UHFFFAOYSA-N
MW205.25 g/mol
LogP0.52
Rot. Bonds8

About 2-hydroxyethyl N-(3-propoxypropyl)carbamate

2-hydroxyethyl N-(3-propoxypropyl)carbamate (PubChem CID 82947518) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-hydroxyethyl N-(3-propoxypropyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(3-propoxypropyl)carbamate
PubChem CID82947518
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-hydroxyethyl N-(3-propoxypropyl)carbamate
SMILESCCCOCCCNC(=O)OCCO
InChIInChI=1S/C9H19NO4/c1-2-6-13-7-3-4-10-9(12)14-8-5-11/h11H,2-8H2,1H3,(H,10,12)
InChIKeyBWOXAJAHNLTUNU-UHFFFAOYSA-N
XLogP0.52
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-hydroxyethyl N-(3-propoxypropyl)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

2-hydroxyethyl N-heptylcarbamate
CID 124705283
2-hydroxyethyl N-propylcarbamate
CID 15560805
2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate
CID 14782678
2,3-dimethoxypropyl N-(3-propoxypropyl)carbamate
CID 59185255
3-[3-(butylamino)propoxy]propyl N-butylcarbamate
CID 87800133
butyl N-(3-hydroxypropyl)carbamate
CID 57302125
tert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate
CID 161198588
tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate
CID 170396360
2-hydroxyethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
CID 79348554
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
propyl N-[3-(methylcarbamoylamino)propyl]carbamate
CID 23563503

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(3-propoxypropyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(3-propoxypropyl)carbamate (CID 82947518) is 2-hydroxyethyl N-(3-propoxypropyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(3-propoxypropyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(3-propoxypropyl)carbamate is CCCOCCCNC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-(3-propoxypropyl)carbamate?
The InChIKey is BWOXAJAHNLTUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-2-6-13-7-3-4-10-9(12)14-8-5-11/h11H,2-8H2,1H3,(H,10,12).
What are the key properties of 2-hydroxyethyl N-(3-propoxypropyl)carbamate?
2-hydroxyethyl N-(3-propoxypropyl)carbamate has a molecular weight of 205.25 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(3-propoxypropyl)carbamate is sourced from PubChem (CID 82947518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).