methyl 2-(hexadecanoylamino)acetate

C19H37NO3 — CID 10471679

IUPACmethyl 2-(hexadecanoylamino)acetate
SMILESCCCCCCCCCCCCCCCC(=O)NCC(=O)OC
InChIInChI=1S/C19H37NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)20-17-19(22)23-2/h3-17H2,1-2H3,(H,20,21)
InChIKeyNRBKZOKUPJQKRF-UHFFFAOYSA-N
MW327.51 g/mol
LogP4.76
Rot. Bonds16

About methyl 2-(hexadecanoylamino)acetate

methyl 2-(hexadecanoylamino)acetate (PubChem CID 10471679) has the molecular formula C19H37NO3 and a molecular weight of 327.51 g/mol. Its IUPAC name is methyl 2-(hexadecanoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(hexadecanoylamino)acetate
PubChem CID10471679
Molecular FormulaC19H37NO3
Molecular Weight327.51 g/mol
Exact Mass327.28
IUPAC Namemethyl 2-(hexadecanoylamino)acetate
SMILESCCCCCCCCCCCCCCCC(=O)NCC(=O)OC
InChIInChI=1S/C19H37NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)20-17-19(22)23-2/h3-17H2,1-2H3,(H,20,21)
InChIKeyNRBKZOKUPJQKRF-UHFFFAOYSA-N
XLogP4.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-(hexadecanoylamino)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

N-Palmitoylglycine
CID 151008
Capryloyl Glycine
CID 84290
Lauramidopropylbetaine
CID 20280
N-dodecanoyl-L-Homoserine lactone
CID 10221437
N-Myristoylglycine
CID 72348
Pendecamaine
CID 72096
Stearamidopropyl Betaine
CID 80317
N-Stearoyl glycine
CID 95070
Myristamidopropyl Betaine
CID 3034644
Sodium lauroyl glycinate
CID 23694635
Palmitoyl Alanine
CID 14961184
N-Lauroylglycine
CID 346152

Frequently Asked Questions

What is the IUPAC name of methyl 2-(hexadecanoylamino)acetate?
The IUPAC name of methyl 2-(hexadecanoylamino)acetate (CID 10471679) is methyl 2-(hexadecanoylamino)acetate.
What is the SMILES notation for methyl 2-(hexadecanoylamino)acetate?
The canonical SMILES for methyl 2-(hexadecanoylamino)acetate is CCCCCCCCCCCCCCCC(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-(hexadecanoylamino)acetate?
The InChIKey is NRBKZOKUPJQKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)20-17-19(22)23-2/h3-17H2,1-2H3,(H,20,21).
What are the key properties of methyl 2-(hexadecanoylamino)acetate?
methyl 2-(hexadecanoylamino)acetate has a molecular weight of 327.51 g/mol, XLogP of 4.76, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hexadecanoylamino)acetate is sourced from PubChem (CID 10471679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).