nonyl 6-(prop-2-enoxycarbonylamino)hexanoate

C19H35NO4 — CID 91739004

IUPACnonyl 6-(prop-2-enoxycarbonylamino)hexanoate
SMILESC=CCOC(=O)NCCCCCC(=O)OCCCCCCCCC
InChIInChI=1S/C19H35NO4/c1-3-5-6-7-8-9-13-17-23-18(21)14-11-10-12-15-20-19(22)24-16-4-2/h4H,2-3,5-17H2,1H3,(H,20,22)
InChIKeyLAELAWNGXPSCJN-UHFFFAOYSA-N
MW341.49 g/mol
LogP4.75
Rot. Bonds16

About nonyl 6-(prop-2-enoxycarbonylamino)hexanoate

nonyl 6-(prop-2-enoxycarbonylamino)hexanoate (PubChem CID 91739004) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is nonyl 6-(prop-2-enoxycarbonylamino)hexanoate.

Molecular Properties

Compound Namenonyl 6-(prop-2-enoxycarbonylamino)hexanoate
PubChem CID91739004
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Namenonyl 6-(prop-2-enoxycarbonylamino)hexanoate
SMILESC=CCOC(=O)NCCCCCC(=O)OCCCCCCCCC
InChIInChI=1S/C19H35NO4/c1-3-5-6-7-8-9-13-17-23-18(21)14-11-10-12-15-20-19(22)24-16-4-2/h4H,2-3,5-17H2,1H3,(H,20,22)
InChIKeyLAELAWNGXPSCJN-UHFFFAOYSA-N
XLogP4.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hexadecyl 6-(prop-2-enoxycarbonylamino)hexanoate
CID 91743644
pentyl 6-(methoxycarbonylamino)hexanoate
CID 91699204
decyl 6-(methoxycarbonylamino)hexanoate
CID 91726021
butyl 6-(propoxycarbonylamino)hexanoate
CID 91709696
undecyl 6-(2-methylpropoxycarbonylamino)hexanoate
CID 91740915
octyl 6-(2,2-dimethylpropoxycarbonylamino)hexanoate
CID 91716837
nonyl 6-(2,2-dimethylpropoxycarbonylamino)hexanoate
CID 91739008
tetradecyl 6-(2,2-dimethylpropoxycarbonylamino)hexanoate
CID 91716852
hexadecyl 6-(2,2-dimethylpropoxycarbonylamino)hexanoate
CID 91716723
hept-6-enyl nonanoate
CID 146588194
heptyl hept-6-enoate
CID 129220829
hex-5-enyl decanoate
CID 166881880

Frequently Asked Questions

What is the IUPAC name of nonyl 6-(prop-2-enoxycarbonylamino)hexanoate?
The IUPAC name of nonyl 6-(prop-2-enoxycarbonylamino)hexanoate (CID 91739004) is nonyl 6-(prop-2-enoxycarbonylamino)hexanoate.
What is the SMILES notation for nonyl 6-(prop-2-enoxycarbonylamino)hexanoate?
The canonical SMILES for nonyl 6-(prop-2-enoxycarbonylamino)hexanoate is C=CCOC(=O)NCCCCCC(=O)OCCCCCCCCC.
What is the InChIKey of nonyl 6-(prop-2-enoxycarbonylamino)hexanoate?
The InChIKey is LAELAWNGXPSCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO4/c1-3-5-6-7-8-9-13-17-23-18(21)14-11-10-12-15-20-19(22)24-16-4-2/h4H,2-3,5-17H2,1H3,(H,20,22).
What are the key properties of nonyl 6-(prop-2-enoxycarbonylamino)hexanoate?
nonyl 6-(prop-2-enoxycarbonylamino)hexanoate has a molecular weight of 341.49 g/mol, XLogP of 4.75, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 6-(prop-2-enoxycarbonylamino)hexanoate is sourced from PubChem (CID 91739004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).