methyl N-butyl-N-(methoxymethyl)carbamate

C8H17NO3 — CID 139914062

IUPACmethyl N-butyl-N-(methoxymethyl)carbamate
SMILESCCCCN(COC)C(=O)OC
InChIInChI=1S/C8H17NO3/c1-4-5-6-9(7-11-2)8(10)12-3/h4-7H2,1-3H3
InChIKeyDQRZCFWDCPSGJZ-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.46
Rot. Bonds5

About methyl N-butyl-N-(methoxymethyl)carbamate

methyl N-butyl-N-(methoxymethyl)carbamate (PubChem CID 139914062) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is methyl N-butyl-N-(methoxymethyl)carbamate.

Molecular Properties

Compound Namemethyl N-butyl-N-(methoxymethyl)carbamate
PubChem CID139914062
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namemethyl N-butyl-N-(methoxymethyl)carbamate
SMILESCCCCN(COC)C(=O)OC
InChIInChI=1S/C8H17NO3/c1-4-5-6-9(7-11-2)8(10)12-3/h4-7H2,1-3H3
InChIKeyDQRZCFWDCPSGJZ-UHFFFAOYSA-N
XLogP1.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.46
H-Bond Donors ≤ 50
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-butyl-N-(methoxymethyl)carbamate?
The IUPAC name of methyl N-butyl-N-(methoxymethyl)carbamate (CID 139914062) is methyl N-butyl-N-(methoxymethyl)carbamate.
What is the SMILES notation for methyl N-butyl-N-(methoxymethyl)carbamate?
The canonical SMILES for methyl N-butyl-N-(methoxymethyl)carbamate is CCCCN(COC)C(=O)OC.
What is the InChIKey of methyl N-butyl-N-(methoxymethyl)carbamate?
The InChIKey is DQRZCFWDCPSGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-4-5-6-9(7-11-2)8(10)12-3/h4-7H2,1-3H3.
What are the key properties of methyl N-butyl-N-(methoxymethyl)carbamate?
methyl N-butyl-N-(methoxymethyl)carbamate has a molecular weight of 175.23 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-butyl-N-(methoxymethyl)carbamate is sourced from PubChem (CID 139914062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).