methyl N-(1-methoxybutyl)carbamate

C7H15NO3 — CID 12711201

IUPACmethyl N-(1-methoxybutyl)carbamate
SMILESCCCC(NC(=O)OC)OC
InChIInChI=1S/C7H15NO3/c1-4-5-6(10-2)8-7(9)11-3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyREXLDSRSMNGOFS-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.12
Rot. Bonds4

About methyl N-(1-methoxybutyl)carbamate

methyl N-(1-methoxybutyl)carbamate (PubChem CID 12711201) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is methyl N-(1-methoxybutyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-methoxybutyl)carbamate
PubChem CID12711201
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Namemethyl N-(1-methoxybutyl)carbamate
SMILESCCCC(NC(=O)OC)OC
InChIInChI=1S/C7H15NO3/c1-4-5-6(10-2)8-7(9)11-3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyREXLDSRSMNGOFS-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1-methoxybutyl)carbamate?
The IUPAC name of methyl N-(1-methoxybutyl)carbamate (CID 12711201) is methyl N-(1-methoxybutyl)carbamate.
What is the SMILES notation for methyl N-(1-methoxybutyl)carbamate?
The canonical SMILES for methyl N-(1-methoxybutyl)carbamate is CCCC(NC(=O)OC)OC.
What is the InChIKey of methyl N-(1-methoxybutyl)carbamate?
The InChIKey is REXLDSRSMNGOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4-5-6(10-2)8-7(9)11-3/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of methyl N-(1-methoxybutyl)carbamate?
methyl N-(1-methoxybutyl)carbamate has a molecular weight of 161.20 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-methoxybutyl)carbamate is sourced from PubChem (CID 12711201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).