octadecyl 2-[methyl(tetradecanoyl)amino]acetate

C35H69NO3 — CID 141251537

IUPACoctadecyl 2-[methyl(tetradecanoyl)amino]acetate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)CCCCCCCCCCCCC
InChIInChI=1S/C35H69NO3/c1-4-6-8-10-12-14-16-17-18-19-20-22-24-26-28-30-32-39-35(38)33-36(3)34(37)31-29-27-25-23-21-15-13-11-9-7-5-2/h4-33H2,1-3H3
InChIKeyZJOYHVWEXFFJBW-UHFFFAOYSA-N
MW551.94 g/mol
LogP10.95
Rot. Bonds31

About octadecyl 2-[methyl(tetradecanoyl)amino]acetate

octadecyl 2-[methyl(tetradecanoyl)amino]acetate (PubChem CID 141251537) has the molecular formula C35H69NO3 and a molecular weight of 551.94 g/mol. Its IUPAC name is octadecyl 2-[methyl(tetradecanoyl)amino]acetate.

Molecular Properties

Compound Nameoctadecyl 2-[methyl(tetradecanoyl)amino]acetate
PubChem CID141251537
Molecular FormulaC35H69NO3
Molecular Weight551.94 g/mol
Exact Mass551.53
IUPAC Nameoctadecyl 2-[methyl(tetradecanoyl)amino]acetate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)CCCCCCCCCCCCC
InChIInChI=1S/C35H69NO3/c1-4-6-8-10-12-14-16-17-18-19-20-22-24-26-28-30-32-39-35(38)33-36(3)34(37)31-29-27-25-23-21-15-13-11-9-7-5-2/h4-33H2,1-3H3
InChIKeyZJOYHVWEXFFJBW-UHFFFAOYSA-N
XLogP10.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds31
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.94
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze octadecyl 2-[methyl(tetradecanoyl)amino]acetate 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

pentadecyl 2-[hexanoyl(methyl)amino]acetate
CID 91692238
octyl 2-[ethoxycarbonyl(methyl)amino]acetate
CID 91709596
dodecyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 6421879
octadecyl 2-[methoxycarbonyl(methyl)amino]acetate
CID 91703023
2-[dodecanoyl(methyl)amino]ethyl dodecanoate
CID 87794388
heptyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 91719245
hexyl 2-[[2-[2-methoxyethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 91719271
heptyl 2-[(N'-heptanoylcarbamimidoyl)-methylamino]acetate
CID 159028224
dodecyl 4-[methyl(octadecyl)amino]-4-oxobutanoate
CID 101425995
icosyl tricosanoate
CID 168953067
nonadecyl tridecanoate
CID 159824193
1-O-heptyl 10-O-pentadecyl decanedioate
CID 91729401

Frequently Asked Questions

What is the IUPAC name of octadecyl 2-[methyl(tetradecanoyl)amino]acetate?
The IUPAC name of octadecyl 2-[methyl(tetradecanoyl)amino]acetate (CID 141251537) is octadecyl 2-[methyl(tetradecanoyl)amino]acetate.
What is the SMILES notation for octadecyl 2-[methyl(tetradecanoyl)amino]acetate?
The canonical SMILES for octadecyl 2-[methyl(tetradecanoyl)amino]acetate is CCCCCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)CCCCCCCCCCCCC.
What is the InChIKey of octadecyl 2-[methyl(tetradecanoyl)amino]acetate?
The InChIKey is ZJOYHVWEXFFJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H69NO3/c1-4-6-8-10-12-14-16-17-18-19-20-22-24-26-28-30-32-39-35(38)33-36(3)34(37)31-29-27-25-23-21-15-13-11-9-7-5-2/h4-33H2,1-3H3.
What are the key properties of octadecyl 2-[methyl(tetradecanoyl)amino]acetate?
octadecyl 2-[methyl(tetradecanoyl)amino]acetate has a molecular weight of 551.94 g/mol, XLogP of 10.95, 31 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octadecyl 2-[methyl(tetradecanoyl)amino]acetate is sourced from PubChem (CID 141251537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).