decyl 2-[methyl(propoxycarbonyl)amino]propanoate

C18H35NO4 — CID 91718697

IUPACdecyl 2-[methyl(propoxycarbonyl)amino]propanoate
SMILESCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCC
InChIInChI=1S/C18H35NO4/c1-5-7-8-9-10-11-12-13-15-22-17(20)16(3)19(4)18(21)23-14-6-2/h16H,5-15H2,1-4H3
InChIKeyGOESAQVGWSDPDN-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.54
Rot. Bonds13

About decyl 2-[methyl(propoxycarbonyl)amino]propanoate

decyl 2-[methyl(propoxycarbonyl)amino]propanoate (PubChem CID 91718697) has the molecular formula C18H35NO4 and a molecular weight of 329.48 g/mol. Its IUPAC name is decyl 2-[methyl(propoxycarbonyl)amino]propanoate.

Molecular Properties

Compound Namedecyl 2-[methyl(propoxycarbonyl)amino]propanoate
PubChem CID91718697
Molecular FormulaC18H35NO4
Molecular Weight329.48 g/mol
Exact Mass329.26
IUPAC Namedecyl 2-[methyl(propoxycarbonyl)amino]propanoate
SMILESCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCC
InChIInChI=1S/C18H35NO4/c1-5-7-8-9-10-11-12-13-15-22-17(20)16(3)19(4)18(21)23-14-6-2/h16H,5-15H2,1-4H3
InChIKeyGOESAQVGWSDPDN-UHFFFAOYSA-N
XLogP4.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

octadecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729786
octyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729777
tetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729783
undecyl 2-[decoxycarbonyl(methyl)amino]propanoate
CID 91737902
decyl 2-[butoxycarbonyl(methyl)amino]propanoate
CID 91722884
pentyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoate
CID 91718545
hexyl 2-[3-chloropropoxycarbonyl(methyl)amino]propanoate
CID 91727204
octadecyl 2-[methyl(2-methylpropoxycarbonyl)amino]propanoate
CID 91722858
heptyl 3-methyl-2-[methyl(propoxycarbonyl)amino]butanoate
CID 91726060
propyl 2-[methyl(4-methylpentoxycarbonyl)amino]propanoate
CID 91718694
hexadecyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate
CID 91725916
tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate
CID 91717715

Frequently Asked Questions

What is the IUPAC name of decyl 2-[methyl(propoxycarbonyl)amino]propanoate?
The IUPAC name of decyl 2-[methyl(propoxycarbonyl)amino]propanoate (CID 91718697) is decyl 2-[methyl(propoxycarbonyl)amino]propanoate.
What is the SMILES notation for decyl 2-[methyl(propoxycarbonyl)amino]propanoate?
The canonical SMILES for decyl 2-[methyl(propoxycarbonyl)amino]propanoate is CCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCC.
What is the InChIKey of decyl 2-[methyl(propoxycarbonyl)amino]propanoate?
The InChIKey is GOESAQVGWSDPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO4/c1-5-7-8-9-10-11-12-13-15-22-17(20)16(3)19(4)18(21)23-14-6-2/h16H,5-15H2,1-4H3.
What are the key properties of decyl 2-[methyl(propoxycarbonyl)amino]propanoate?
decyl 2-[methyl(propoxycarbonyl)amino]propanoate has a molecular weight of 329.48 g/mol, XLogP of 4.54, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-[methyl(propoxycarbonyl)amino]propanoate is sourced from PubChem (CID 91718697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).