2-methylpropyl N-ethoxycarbamate

C7H15NO3 — CID 115575426

IUPAC2-methylpropyl N-ethoxycarbamate
SMILESCCONC(=O)OCC(C)C
InChIInChI=1S/C7H15NO3/c1-4-11-8-7(9)10-5-6(2)3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyYOXIZZSFVCYXKN-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.32
Rot. Bonds4

About 2-methylpropyl N-ethoxycarbamate

2-methylpropyl N-ethoxycarbamate (PubChem CID 115575426) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-methylpropyl N-ethoxycarbamate.

Molecular Properties

Compound Name2-methylpropyl N-ethoxycarbamate
PubChem CID115575426
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-methylpropyl N-ethoxycarbamate
SMILESCCONC(=O)OCC(C)C
InChIInChI=1S/C7H15NO3/c1-4-11-8-7(9)10-5-6(2)3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyYOXIZZSFVCYXKN-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Propyl carbamate
CID 12306
Isobutyl carbamate
CID 10973
1-Propanol, 2,2-dimethyl-, carbamate
CID 76576
Carbamic acid, hydroxy-, isobutyl ester
CID 22467
tert-butyl N-methoxycarbamate
CID 12240290
Carbamic acid, methoxy-, ethyl ester
CID 533694
Propyl hydroxycarbamate
CID 11521
Isoamyl carbamate
CID 10984
Carbamic acid, hydroxy-, butyl ester
CID 164691
Ethyloxyurethan
CID 12477837
Carbamic acid, (1,1-dimethylethoxy)-, ethyl ester
CID 10942758
Isopropoxycarbamic acid, ethyl ester
CID 6421229

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-ethoxycarbamate?
The IUPAC name of 2-methylpropyl N-ethoxycarbamate (CID 115575426) is 2-methylpropyl N-ethoxycarbamate.
What is the SMILES notation for 2-methylpropyl N-ethoxycarbamate?
The canonical SMILES for 2-methylpropyl N-ethoxycarbamate is CCONC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-ethoxycarbamate?
The InChIKey is YOXIZZSFVCYXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4-11-8-7(9)10-5-6(2)3/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of 2-methylpropyl N-ethoxycarbamate?
2-methylpropyl N-ethoxycarbamate has a molecular weight of 161.20 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-ethoxycarbamate is sourced from PubChem (CID 115575426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).