methyl N-(2-ethoxypropyl)carbamate

C7H15NO3 — CID 115649304

IUPACmethyl N-(2-ethoxypropyl)carbamate
SMILESCCOC(C)CNC(=O)OC
InChIInChI=1S/C7H15NO3/c1-4-11-6(2)5-8-7(9)10-3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyNLKUHCCMJCHBES-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.77
Rot. Bonds4

About methyl N-(2-ethoxypropyl)carbamate

methyl N-(2-ethoxypropyl)carbamate (PubChem CID 115649304) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is methyl N-(2-ethoxypropyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-ethoxypropyl)carbamate
PubChem CID115649304
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Namemethyl N-(2-ethoxypropyl)carbamate
SMILESCCOC(C)CNC(=O)OC
InChIInChI=1S/C7H15NO3/c1-4-11-6(2)5-8-7(9)10-3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyNLKUHCCMJCHBES-UHFFFAOYSA-N
XLogP0.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-(2-ethoxypropyl)acetamide
CID 115648995
methyl N-(2-carbamoyloxypropyl)carbamate
CID 140629803
4-amino-N-(2-ethoxypropyl)-3-methoxybutanamide
CID 103156665
2-(2-aminoethoxy)-N-(2-ethoxypropyl)acetamide
CID 115739454
ethyl 2-(2-ethoxypropylamino)propanoate
CID 115663940
1-butyl-3-(2-ethoxypropyl)urea
CID 115660949
N-(2-ethoxypropyl)dodecanamide
CID 173205784
ethyl 2-(2-ethoxypropylcarbamoylamino)acetate
CID 115664872
N-(2-ethoxypropyl)-3-(propan-2-ylamino)propanamide
CID 115734235
1-(2-ethoxypropyl)-3-(4-methylphenyl)urea
CID 121261528
ethyl 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyacetate
CID 87219615
methyl N-(2-formylbutyl)carbamate
CID 123511386

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-ethoxypropyl)carbamate?
The IUPAC name of methyl N-(2-ethoxypropyl)carbamate (CID 115649304) is methyl N-(2-ethoxypropyl)carbamate.
What is the SMILES notation for methyl N-(2-ethoxypropyl)carbamate?
The canonical SMILES for methyl N-(2-ethoxypropyl)carbamate is CCOC(C)CNC(=O)OC.
What is the InChIKey of methyl N-(2-ethoxypropyl)carbamate?
The InChIKey is NLKUHCCMJCHBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4-11-6(2)5-8-7(9)10-3/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of methyl N-(2-ethoxypropyl)carbamate?
methyl N-(2-ethoxypropyl)carbamate has a molecular weight of 161.20 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-ethoxypropyl)carbamate is sourced from PubChem (CID 115649304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).