octyl 2-[hexoxycarbonyl(methyl)amino]propanoate

C19H37NO4 — CID 91729777

IUPACoctyl 2-[hexoxycarbonyl(methyl)amino]propanoate
SMILESCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCCC
InChIInChI=1S/C19H37NO4/c1-5-7-9-11-12-14-15-23-18(21)17(3)20(4)19(22)24-16-13-10-8-6-2/h17H,5-16H2,1-4H3
InChIKeyJLWVQGJHFPISHH-UHFFFAOYSA-N
MW343.51 g/mol
LogP4.93
Rot. Bonds14

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

octyl 2-[hexoxycarbonyl(methyl)amino]propanoate (PubChem CID 91729777) has the molecular formula C19H37NO4 and a molecular weight of 343.51 g/mol. Its IUPAC name is octyl 2-[hexoxycarbonyl(methyl)amino]propanoate.

Molecular Properties

Compound Nameoctyl 2-[hexoxycarbonyl(methyl)amino]propanoate
PubChem CID91729777
Molecular FormulaC19H37NO4
Molecular Weight343.51 g/mol
Exact Mass343.27
IUPAC Nameoctyl 2-[hexoxycarbonyl(methyl)amino]propanoate
SMILESCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCCC
InChIInChI=1S/C19H37NO4/c1-5-7-9-11-12-14-15-23-18(21)17(3)20(4)19(22)24-16-13-10-8-6-2/h17H,5-16H2,1-4H3
InChIKeyJLWVQGJHFPISHH-UHFFFAOYSA-N
XLogP4.93
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze octyl 2-[hexoxycarbonyl(methyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

octadecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729786
tetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729783
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
hexadecyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate
CID 91725916
tetradecyl 2-[methyl(prop-2-enoxycarbonyl)amino]propanoate
CID 91717715
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 octyl 2-[hexoxycarbonyl(methyl)amino]propanoate?
The IUPAC name of octyl 2-[hexoxycarbonyl(methyl)amino]propanoate (CID 91729777) is octyl 2-[hexoxycarbonyl(methyl)amino]propanoate.
What is the SMILES notation for octyl 2-[hexoxycarbonyl(methyl)amino]propanoate?
The canonical SMILES for octyl 2-[hexoxycarbonyl(methyl)amino]propanoate is CCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCCC.
What is the InChIKey of octyl 2-[hexoxycarbonyl(methyl)amino]propanoate?
The InChIKey is JLWVQGJHFPISHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO4/c1-5-7-9-11-12-14-15-23-18(21)17(3)20(4)19(22)24-16-13-10-8-6-2/h17H,5-16H2,1-4H3.
What are the key properties of octyl 2-[hexoxycarbonyl(methyl)amino]propanoate?
octyl 2-[hexoxycarbonyl(methyl)amino]propanoate has a molecular weight of 343.51 g/mol, XLogP of 4.93, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 2-[hexoxycarbonyl(methyl)amino]propanoate is sourced from PubChem (CID 91729777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).