butyl N-butyl-N-methylcarbamate

C10H21NO2 — CID 127502840

IUPACbutyl N-butyl-N-methylcarbamate
SMILESCCCCOC(=O)N(C)CCCC
InChIInChI=1S/C10H21NO2/c1-4-6-8-11(3)10(12)13-9-7-5-2/h4-9H2,1-3H3
InChIKeyNKUKUPLOSBREQE-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.65
Rot. Bonds6

About butyl N-butyl-N-methylcarbamate

butyl N-butyl-N-methylcarbamate (PubChem CID 127502840) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is butyl N-butyl-N-methylcarbamate.

Molecular Properties

Compound Namebutyl N-butyl-N-methylcarbamate
PubChem CID127502840
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namebutyl N-butyl-N-methylcarbamate
SMILESCCCCOC(=O)N(C)CCCC
InChIInChI=1S/C10H21NO2/c1-4-6-8-11(3)10(12)13-9-7-5-2/h4-9H2,1-3H3
InChIKeyNKUKUPLOSBREQE-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl N-butyl-N-methylcarbamate?
The IUPAC name of butyl N-butyl-N-methylcarbamate (CID 127502840) is butyl N-butyl-N-methylcarbamate.
What is the SMILES notation for butyl N-butyl-N-methylcarbamate?
The canonical SMILES for butyl N-butyl-N-methylcarbamate is CCCCOC(=O)N(C)CCCC.
What is the InChIKey of butyl N-butyl-N-methylcarbamate?
The InChIKey is NKUKUPLOSBREQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-6-8-11(3)10(12)13-9-7-5-2/h4-9H2,1-3H3.
What are the key properties of butyl N-butyl-N-methylcarbamate?
butyl N-butyl-N-methylcarbamate has a molecular weight of 187.28 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-butyl-N-methylcarbamate is sourced from PubChem (CID 127502840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).