2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate

C11H21NO5 — CID 79345576

IUPAC2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate
SMILESO=C(NCCCOCC1CCCO1)OCCO
InChIInChI=1S/C11H21NO5/c13-5-8-17-11(14)12-4-2-6-15-9-10-3-1-7-16-10/h10,13H,1-9H2,(H,12,14)
InChIKeyVKXFNEXHABPZEO-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.29
Rot. Bonds8

About 2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate

2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate (PubChem CID 79345576) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate
PubChem CID79345576
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate
SMILESO=C(NCCCOCC1CCCO1)OCCO
InChIInChI=1S/C11H21NO5/c13-5-8-17-11(14)12-4-2-6-15-9-10-3-1-7-16-10/h10,13H,1-9H2,(H,12,14)
InChIKeyVKXFNEXHABPZEO-UHFFFAOYSA-N
XLogP0.29
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61276283
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 107904862
(2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
CID 79013082
7-amino-N-[3-(oxolan-2-ylmethoxy)propyl]heptanamide
CID 61274559
2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
CID 79805275
tert-butyl N-[2-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]carbamate
CID 115606970
2-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 91298433
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
3-(cyclopropylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61275516
3-(oxan-2-ylmethoxy)propan-1-ol
CID 63054995
6-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazine-2-carboxamide
CID 103186875

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate (CID 79345576) is 2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate is O=C(NCCCOCC1CCCO1)OCCO.
What is the InChIKey of 2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate?
The InChIKey is VKXFNEXHABPZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c13-5-8-17-11(14)12-4-2-6-15-9-10-3-1-7-16-10/h10,13H,1-9H2,(H,12,14).
What are the key properties of 2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate?
2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate has a molecular weight of 247.29 g/mol, XLogP of 0.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate is sourced from PubChem (CID 79345576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).