decyl 6-(methoxycarbonylamino)hexanoate

C18H35NO4 — CID 91726021

IUPACdecyl 6-(methoxycarbonylamino)hexanoate
SMILESCCCCCCCCCCOC(=O)CCCCCNC(=O)OC
InChIInChI=1S/C18H35NO4/c1-3-4-5-6-7-8-9-13-16-23-17(20)14-11-10-12-15-19-18(21)22-2/h3-16H2,1-2H3,(H,19,21)
InChIKeyJRSPZJIUOGZLPJ-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.59
Rot. Bonds15

About decyl 6-(methoxycarbonylamino)hexanoate

decyl 6-(methoxycarbonylamino)hexanoate (PubChem CID 91726021) has the molecular formula C18H35NO4 and a molecular weight of 329.48 g/mol. Its IUPAC name is decyl 6-(methoxycarbonylamino)hexanoate.

Molecular Properties

Compound Namedecyl 6-(methoxycarbonylamino)hexanoate
PubChem CID91726021
Molecular FormulaC18H35NO4
Molecular Weight329.48 g/mol
Exact Mass329.26
IUPAC Namedecyl 6-(methoxycarbonylamino)hexanoate
SMILESCCCCCCCCCCOC(=O)CCCCCNC(=O)OC
InChIInChI=1S/C18H35NO4/c1-3-4-5-6-7-8-9-13-16-23-17(20)14-11-10-12-15-19-18(21)22-2/h3-16H2,1-2H3,(H,19,21)
InChIKeyJRSPZJIUOGZLPJ-UHFFFAOYSA-N
XLogP4.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.59
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

pentyl 6-(methoxycarbonylamino)hexanoate
CID 91699204
4-nonanoyloxybutylcarbamic acid
CID 57088848
dodecyl 6-acetamidohexanoate
CID 21259378
4-decanoyloxybutylcarbamic acid
CID 57087634
octadecyl 12-[(12-octadecoxy-12-oxododecyl)carbamoylcarbamoylamino]dodecanoate
CID 173404500
butyl 6-(propoxycarbonylamino)hexanoate
CID 91709696
undecyl 6-(2-methylpropoxycarbonylamino)hexanoate
CID 91740915
nonyl 6-(prop-2-enoxycarbonylamino)hexanoate
CID 91739004
octyl 6-(2,2-dimethylpropoxycarbonylamino)hexanoate
CID 91716837
nonyl 6-(2,2-dimethylpropoxycarbonylamino)hexanoate
CID 91739008
hexadecyl 6-(prop-2-enoxycarbonylamino)hexanoate
CID 91743644
tetradecyl 6-(2,2-dimethylpropoxycarbonylamino)hexanoate
CID 91716852

Frequently Asked Questions

What is the IUPAC name of decyl 6-(methoxycarbonylamino)hexanoate?
The IUPAC name of decyl 6-(methoxycarbonylamino)hexanoate (CID 91726021) is decyl 6-(methoxycarbonylamino)hexanoate.
What is the SMILES notation for decyl 6-(methoxycarbonylamino)hexanoate?
The canonical SMILES for decyl 6-(methoxycarbonylamino)hexanoate is CCCCCCCCCCOC(=O)CCCCCNC(=O)OC.
What is the InChIKey of decyl 6-(methoxycarbonylamino)hexanoate?
The InChIKey is JRSPZJIUOGZLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO4/c1-3-4-5-6-7-8-9-13-16-23-17(20)14-11-10-12-15-19-18(21)22-2/h3-16H2,1-2H3,(H,19,21).
What are the key properties of decyl 6-(methoxycarbonylamino)hexanoate?
decyl 6-(methoxycarbonylamino)hexanoate has a molecular weight of 329.48 g/mol, XLogP of 4.59, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 6-(methoxycarbonylamino)hexanoate is sourced from PubChem (CID 91726021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).