propyl 2-(methylamino)hexadecanoate

C20H41NO2 — CID 174448846

IUPACpropyl 2-(methylamino)hexadecanoate
SMILESCCCCCCCCCCCCCCC(NC)C(=O)OCCC
InChIInChI=1S/C20H41NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19(21-3)20(22)23-18-5-2/h19,21H,4-18H2,1-3H3
InChIKeyLZGWDYMKGBHURD-UHFFFAOYSA-N
MW327.55 g/mol
LogP5.62
Rot. Bonds17

About propyl 2-(methylamino)hexadecanoate

propyl 2-(methylamino)hexadecanoate (PubChem CID 174448846) has the molecular formula C20H41NO2 and a molecular weight of 327.55 g/mol. Its IUPAC name is propyl 2-(methylamino)hexadecanoate.

Molecular Properties

Compound Namepropyl 2-(methylamino)hexadecanoate
PubChem CID174448846
Molecular FormulaC20H41NO2
Molecular Weight327.55 g/mol
Exact Mass327.31
IUPAC Namepropyl 2-(methylamino)hexadecanoate
SMILESCCCCCCCCCCCCCCC(NC)C(=O)OCCC
InChIInChI=1S/C20H41NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19(21-3)20(22)23-18-5-2/h19,21H,4-18H2,1-3H3
InChIKeyLZGWDYMKGBHURD-UHFFFAOYSA-N
XLogP5.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.55
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze propyl 2-(methylamino)hexadecanoate 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

tridecyl (2R)-2-(methylamino)-3-sulfanylpropanoate
CID 87068792
3-(methylamino)nonan-2-one
CID 21024660
hexadecyl 2-(propoxycarbonylamino)hexanoate
CID 91726017
(1-octoxy-1-oxoheptan-2-yl)carbamic acid
CID 21259369
butyl 2-methyloctanoate
CID 54180722
dodecyl 2-methyltetradecanoate
CID 88541423
hexyl 2-methyldodecanoate
CID 174392697
propyl (2S)-6-amino-2-(dodecanoylamino)hexanoate
CID 20606573
propyl 2-methylhexanoate
CID 15464658
heptyl 2-(butoxycarbonylamino)octanoate
CID 91734808
pentadecyl 2-(methoxycarbonylamino)octanoate
CID 91726033
ethyl 5-amino-2-(methylamino)pentanoate
CID 88589084

Frequently Asked Questions

What is the IUPAC name of propyl 2-(methylamino)hexadecanoate?
The IUPAC name of propyl 2-(methylamino)hexadecanoate (CID 174448846) is propyl 2-(methylamino)hexadecanoate.
What is the SMILES notation for propyl 2-(methylamino)hexadecanoate?
The canonical SMILES for propyl 2-(methylamino)hexadecanoate is CCCCCCCCCCCCCCC(NC)C(=O)OCCC.
What is the InChIKey of propyl 2-(methylamino)hexadecanoate?
The InChIKey is LZGWDYMKGBHURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19(21-3)20(22)23-18-5-2/h19,21H,4-18H2,1-3H3.
What are the key properties of propyl 2-(methylamino)hexadecanoate?
propyl 2-(methylamino)hexadecanoate has a molecular weight of 327.55 g/mol, XLogP of 5.62, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(methylamino)hexadecanoate is sourced from PubChem (CID 174448846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).