2-(2-methylpropoxycarbonylamino)butyl N-butylcarbamate

C14H28N2O4 — CID 3136028

IUPAC2-(2-methylpropoxycarbonylamino)butyl N-butylcarbamate
SMILESCCCCNC(=O)OCC(CC)NC(=O)OCC(C)C
InChIInChI=1S/C14H28N2O4/c1-5-7-8-15-13(17)20-10-12(6-2)16-14(18)19-9-11(3)4/h11-12H,5-10H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyFFBWQEKZCKLWTB-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.67
Rot. Bonds9

About 2-(2-methylpropoxycarbonylamino)butyl N-butylcarbamate

2-(2-methylpropoxycarbonylamino)butyl N-butylcarbamate (PubChem CID 3136028) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(2-methylpropoxycarbonylamino)butyl N-butylcarbamate.

Molecular Properties

Compound Name2-(2-methylpropoxycarbonylamino)butyl N-butylcarbamate
PubChem CID3136028
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-(2-methylpropoxycarbonylamino)butyl N-butylcarbamate
SMILESCCCCNC(=O)OCC(CC)NC(=O)OCC(C)C
InChIInChI=1S/C14H28N2O4/c1-5-7-8-15-13(17)20-10-12(6-2)16-14(18)19-9-11(3)4/h11-12H,5-10H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyFFBWQEKZCKLWTB-UHFFFAOYSA-N
XLogP2.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(2-methylpropoxycarbonylamino)butyl N-butylcarbamate?
The IUPAC name of 2-(2-methylpropoxycarbonylamino)butyl N-butylcarbamate (CID 3136028) is 2-(2-methylpropoxycarbonylamino)butyl N-butylcarbamate.
What is the SMILES notation for 2-(2-methylpropoxycarbonylamino)butyl N-butylcarbamate?
The canonical SMILES for 2-(2-methylpropoxycarbonylamino)butyl N-butylcarbamate is CCCCNC(=O)OCC(CC)NC(=O)OCC(C)C.
What is the InChIKey of 2-(2-methylpropoxycarbonylamino)butyl N-butylcarbamate?
The InChIKey is FFBWQEKZCKLWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-5-7-8-15-13(17)20-10-12(6-2)16-14(18)19-9-11(3)4/h11-12H,5-10H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of 2-(2-methylpropoxycarbonylamino)butyl N-butylcarbamate?
2-(2-methylpropoxycarbonylamino)butyl N-butylcarbamate has a molecular weight of 288.39 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxycarbonylamino)butyl N-butylcarbamate is sourced from PubChem (CID 3136028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).