2,3-dimethoxypropyl N-(3-propoxypropyl)carbamate

C12H25NO5 — CID 59185255

IUPAC2,3-dimethoxypropyl N-(3-propoxypropyl)carbamate
SMILESCCCOCCCNC(=O)OCC(COC)OC
InChIInChI=1S/C12H25NO5/c1-4-7-17-8-5-6-13-12(14)18-10-11(16-3)9-15-2/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyNXIVZVBFTNTFNB-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.19
Rot. Bonds11

About 2,3-dimethoxypropyl N-(3-propoxypropyl)carbamate

2,3-dimethoxypropyl N-(3-propoxypropyl)carbamate (PubChem CID 59185255) has the molecular formula C12H25NO5 and a molecular weight of 263.33 g/mol. Its IUPAC name is 2,3-dimethoxypropyl N-(3-propoxypropyl)carbamate.

Molecular Properties

Compound Name2,3-dimethoxypropyl N-(3-propoxypropyl)carbamate
PubChem CID59185255
Molecular FormulaC12H25NO5
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Name2,3-dimethoxypropyl N-(3-propoxypropyl)carbamate
SMILESCCCOCCCNC(=O)OCC(COC)OC
InChIInChI=1S/C12H25NO5/c1-4-7-17-8-5-6-13-12(14)18-10-11(16-3)9-15-2/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyNXIVZVBFTNTFNB-UHFFFAOYSA-N
XLogP1.19
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl N-(3-propoxypropyl)carbamate
CID 82947518
[(2R)-2,3-di(tetradecoxy)propyl] N-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]carbamate
CID 162468032
4-[3-[[2-(2,3-dimethoxypropoxy)acetyl]amino]propoxy]-N-pentylbutanamide
CID 59185260
[1-methoxy-3-(octylcarbamoyloxy)propan-2-yl] octanoate
CID 71455315
2-methoxy-N-(3-propoxypropyl)acetamide
CID 82947081
tert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate
CID 161198588
butan-2-one;[3-(ethylcarbamoyloxy)-2-methoxypropyl] N-ethylcarbamate;methane
CID 157151127
tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate
CID 170396360
[2-(butylcarbamoyloxy)-3-ethoxypropyl] N-butylcarbamate
CID 59499826
carboxymethyl-[2-[[2-methoxy-3-(octadecylcarbamoyloxy)propoxy]carbonylamino]ethyl]-dimethylazanium
CID 19829293
2-bromoethyl [2-methoxy-3-(octadecylcarbamoyloxy)propyl] phosphate
CID 131713133
2,3-di(tetradecoxy)propyl N-[3-(1-hydroxy-2-methylpropan-2-yl)oxypropyl]carbamate
CID 130218296

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxypropyl N-(3-propoxypropyl)carbamate?
The IUPAC name of 2,3-dimethoxypropyl N-(3-propoxypropyl)carbamate (CID 59185255) is 2,3-dimethoxypropyl N-(3-propoxypropyl)carbamate.
What is the SMILES notation for 2,3-dimethoxypropyl N-(3-propoxypropyl)carbamate?
The canonical SMILES for 2,3-dimethoxypropyl N-(3-propoxypropyl)carbamate is CCCOCCCNC(=O)OCC(COC)OC.
What is the InChIKey of 2,3-dimethoxypropyl N-(3-propoxypropyl)carbamate?
The InChIKey is NXIVZVBFTNTFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO5/c1-4-7-17-8-5-6-13-12(14)18-10-11(16-3)9-15-2/h11H,4-10H2,1-3H3,(H,13,14).
What are the key properties of 2,3-dimethoxypropyl N-(3-propoxypropyl)carbamate?
2,3-dimethoxypropyl N-(3-propoxypropyl)carbamate has a molecular weight of 263.33 g/mol, XLogP of 1.19, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxypropyl N-(3-propoxypropyl)carbamate is sourced from PubChem (CID 59185255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).