dodecyl 3-(dimethylamino)propanoate

C17H35NO2 — CID 11483031

IUPACdodecyl 3-(dimethylamino)propanoate
SMILESCCCCCCCCCCCCOC(=O)CCN(C)C
InChIInChI=1S/C17H35NO2/c1-4-5-6-7-8-9-10-11-12-13-16-20-17(19)14-15-18(2)3/h4-16H2,1-3H3
InChIKeyGTNYVDGWECRBPG-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.40
Rot. Bonds14

About dodecyl 3-(dimethylamino)propanoate

dodecyl 3-(dimethylamino)propanoate (PubChem CID 11483031) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is dodecyl 3-(dimethylamino)propanoate.

Molecular Properties

Compound Namedodecyl 3-(dimethylamino)propanoate
PubChem CID11483031
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Namedodecyl 3-(dimethylamino)propanoate
SMILESCCCCCCCCCCCCOC(=O)CCN(C)C
InChIInChI=1S/C17H35NO2/c1-4-5-6-7-8-9-10-11-12-13-16-20-17(19)14-15-18(2)3/h4-16H2,1-3H3
InChIKeyGTNYVDGWECRBPG-UHFFFAOYSA-N
XLogP4.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dodecyl 3-(dimethylamino)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

3-(dimethylamino)propanoic acid;dioctadecyl butanedioate
CID 177149030
tridecyl 3-[2-[bis[2-[methyl-(3-oxo-3-tridecoxypropyl)amino]ethyl]amino]ethyl-methylamino]propanoate
CID 73389311
1-O-octyl 4-O-undecyl butanedioate
CID 91702141
dihexadecyl butanedioate
CID 3572854
1-O-dodecyl 4-O-octadecyl butanedioate
CID 151076861
butyl 4-(dimethylamino)butanoate
CID 89434908
tetradecyl 3-[3-[3-[bis(3-oxo-3-tetradecoxypropyl)amino]propyl-methylamino]propyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate
CID 73389645
2-[bis(3-dodecoxy-3-oxopropyl)amino]ethyl 3-[2-[[3-[2-[bis(3-dodecoxy-3-oxopropyl)amino]ethoxy]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoate
CID 168851307
tridecyl 3-[3-[3-[bis(3-oxo-3-tridecoxypropyl)amino]propyl-methylamino]propyl-(3-oxo-3-tridecoxypropyl)amino]propanoate
CID 73389555
2-[3-[2-[bis(3-dodecoxy-3-oxopropyl)amino]ethyl-methylamino]propanoyloxy]ethyl 3-[2-[bis(3-dodecoxy-3-oxopropyl)amino]ethyl-methylamino]propanoate
CID 168851388
dipentyl pentadecanedioate
CID 87116442
8-undecanoyloxyoctyl undecanoate
CID 90370349

Frequently Asked Questions

What is the IUPAC name of dodecyl 3-(dimethylamino)propanoate?
The IUPAC name of dodecyl 3-(dimethylamino)propanoate (CID 11483031) is dodecyl 3-(dimethylamino)propanoate.
What is the SMILES notation for dodecyl 3-(dimethylamino)propanoate?
The canonical SMILES for dodecyl 3-(dimethylamino)propanoate is CCCCCCCCCCCCOC(=O)CCN(C)C.
What is the InChIKey of dodecyl 3-(dimethylamino)propanoate?
The InChIKey is GTNYVDGWECRBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-4-5-6-7-8-9-10-11-12-13-16-20-17(19)14-15-18(2)3/h4-16H2,1-3H3.
What are the key properties of dodecyl 3-(dimethylamino)propanoate?
dodecyl 3-(dimethylamino)propanoate has a molecular weight of 285.47 g/mol, XLogP of 4.40, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 3-(dimethylamino)propanoate is sourced from PubChem (CID 11483031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).