tetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate

C25H49NO4 — CID 91729783

IUPACtetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
SMILESCCCCCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCCC
InChIInChI=1S/C25H49NO4/c1-5-7-9-11-12-13-14-15-16-17-18-20-21-29-24(27)23(3)26(4)25(28)30-22-19-10-8-6-2/h23H,5-22H2,1-4H3
InChIKeyDXDMRYWNTNPFIZ-UHFFFAOYSA-N
MW427.67 g/mol
LogP7.27
Rot. Bonds20

About tetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate

tetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate (PubChem CID 91729783) has the molecular formula C25H49NO4 and a molecular weight of 427.67 g/mol. Its IUPAC name is tetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate.

Molecular Properties

Compound Nametetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
PubChem CID91729783
Molecular FormulaC25H49NO4
Molecular Weight427.67 g/mol
Exact Mass427.37
IUPAC Nametetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
SMILESCCCCCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCCC
InChIInChI=1S/C25H49NO4/c1-5-7-9-11-12-13-14-15-16-17-18-20-21-29-24(27)23(3)26(4)25(28)30-22-19-10-8-6-2/h23H,5-22H2,1-4H3
InChIKeyDXDMRYWNTNPFIZ-UHFFFAOYSA-N
XLogP7.27
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.67
LogP ≤ 57.27
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
undecyl 2-[decoxycarbonyl(methyl)amino]propanoate
CID 91737902
decyl 2-[butoxycarbonyl(methyl)amino]propanoate
CID 91722884
decyl 2-[methyl(propoxycarbonyl)amino]propanoate
CID 91718697
hexyl 2-[3-chloropropoxycarbonyl(methyl)amino]propanoate
CID 91727204
octadecyl 2-[methyl(2-methylpropoxycarbonyl)amino]propanoate
CID 91722858
pentyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoate
CID 91718545
tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate
CID 91717715
hexadecyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate
CID 91725916
pentadecyl 2-[methyl(prop-2-ynoxycarbonyl)amino]propanoate
CID 91716793
decyl 2-[(3-chloro-2-methylpropoxy)carbonyl-methylamino]propanoate
CID 91731593

Frequently Asked Questions

What is the IUPAC name of tetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate?
The IUPAC name of tetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate (CID 91729783) is tetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate.
What is the SMILES notation for tetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate?
The canonical SMILES for tetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate is CCCCCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCCC.
What is the InChIKey of tetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate?
The InChIKey is DXDMRYWNTNPFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49NO4/c1-5-7-9-11-12-13-14-15-16-17-18-20-21-29-24(27)23(3)26(4)25(28)30-22-19-10-8-6-2/h23H,5-22H2,1-4H3.
What are the key properties of tetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate?
tetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate has a molecular weight of 427.67 g/mol, XLogP of 7.27, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate is sourced from PubChem (CID 91729783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).