butyl 6-(propoxycarbonylamino)hexanoate

C14H27NO4 — CID 91709696

IUPACbutyl 6-(propoxycarbonylamino)hexanoate
SMILESCCCCOC(=O)CCCCCNC(=O)OCCC
InChIInChI=1S/C14H27NO4/c1-3-5-12-18-13(16)9-7-6-8-10-15-14(17)19-11-4-2/h3-12H2,1-2H3,(H,15,17)
InChIKeyOZSPFFUEILNDLD-UHFFFAOYSA-N
MW273.37 g/mol
LogP3.03
Rot. Bonds11

About butyl 6-(propoxycarbonylamino)hexanoate

butyl 6-(propoxycarbonylamino)hexanoate (PubChem CID 91709696) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is butyl 6-(propoxycarbonylamino)hexanoate.

Molecular Properties

Compound Namebutyl 6-(propoxycarbonylamino)hexanoate
PubChem CID91709696
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Namebutyl 6-(propoxycarbonylamino)hexanoate
SMILESCCCCOC(=O)CCCCCNC(=O)OCCC
InChIInChI=1S/C14H27NO4/c1-3-5-12-18-13(16)9-7-6-8-10-15-14(17)19-11-4-2/h3-12H2,1-2H3,(H,15,17)
InChIKeyOZSPFFUEILNDLD-UHFFFAOYSA-N
XLogP3.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl 6-(butoxycarbonylamino)hexanoate
CID 91734843
butyl 6-(2,2-dimethylpropoxycarbonylamino)hexanoate
CID 91716734
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
pentyl 6-(methoxycarbonylamino)hexanoate
CID 91699204
decyl 6-(methoxycarbonylamino)hexanoate
CID 91726021
butyl 6-(methylamino)hexanoate
CID 14437323
hexadecyl 6-(prop-2-enoxycarbonylamino)hexanoate
CID 91743644
nonyl 6-(2,2-dimethylpropoxycarbonylamino)hexanoate
CID 91739008
undecyl 6-(2-methylpropoxycarbonylamino)hexanoate
CID 91740915
nonyl 6-(prop-2-enoxycarbonylamino)hexanoate
CID 91739004
octyl 6-(2,2-dimethylpropoxycarbonylamino)hexanoate
CID 91716837

Frequently Asked Questions

What is the IUPAC name of butyl 6-(propoxycarbonylamino)hexanoate?
The IUPAC name of butyl 6-(propoxycarbonylamino)hexanoate (CID 91709696) is butyl 6-(propoxycarbonylamino)hexanoate.
What is the SMILES notation for butyl 6-(propoxycarbonylamino)hexanoate?
The canonical SMILES for butyl 6-(propoxycarbonylamino)hexanoate is CCCCOC(=O)CCCCCNC(=O)OCCC.
What is the InChIKey of butyl 6-(propoxycarbonylamino)hexanoate?
The InChIKey is OZSPFFUEILNDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-3-5-12-18-13(16)9-7-6-8-10-15-14(17)19-11-4-2/h3-12H2,1-2H3,(H,15,17).
What are the key properties of butyl 6-(propoxycarbonylamino)hexanoate?
butyl 6-(propoxycarbonylamino)hexanoate has a molecular weight of 273.37 g/mol, XLogP of 3.03, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 6-(propoxycarbonylamino)hexanoate is sourced from PubChem (CID 91709696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).