[2-(ethylamino)acetyl] dodecanoate

C16H31NO3 — CID 87803500

IUPAC[2-(ethylamino)acetyl] dodecanoate
SMILESCCCCCCCCCCCC(=O)OC(=O)CNCC
InChIInChI=1S/C16H31NO3/c1-3-5-6-7-8-9-10-11-12-13-15(18)20-16(19)14-17-4-2/h17H,3-14H2,1-2H3
InChIKeyUJRJAZOHOFAKOJ-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.59
Rot. Bonds13

About [2-(ethylamino)acetyl] dodecanoate

[2-(ethylamino)acetyl] dodecanoate (PubChem CID 87803500) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is [2-(ethylamino)acetyl] dodecanoate.

Molecular Properties

Compound Name[2-(ethylamino)acetyl] dodecanoate
PubChem CID87803500
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name[2-(ethylamino)acetyl] dodecanoate
SMILESCCCCCCCCCCCC(=O)OC(=O)CNCC
InChIInChI=1S/C16H31NO3/c1-3-5-6-7-8-9-10-11-12-13-15(18)20-16(19)14-17-4-2/h17H,3-14H2,1-2H3
InChIKeyUJRJAZOHOFAKOJ-UHFFFAOYSA-N
XLogP3.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

henicosanoyl docosanoate
CID 175302110
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
[2-(methylamino)acetyl] octadecanoate
CID 57485427
diheptanoyl propanedioate
CID 57094190
ethane;octadecanoyl octadecanoate
CID 174636018
dodecanoyl dodecanoate;sulfane
CID 174888621
azane;[2-(methylamino)acetyl] tetradecanoate
CID 87240252
CID 175839968
CID 175839968
CID 175920376
CID 175920376

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)acetyl] dodecanoate?
The IUPAC name of [2-(ethylamino)acetyl] dodecanoate (CID 87803500) is [2-(ethylamino)acetyl] dodecanoate.
What is the SMILES notation for [2-(ethylamino)acetyl] dodecanoate?
The canonical SMILES for [2-(ethylamino)acetyl] dodecanoate is CCCCCCCCCCCC(=O)OC(=O)CNCC.
What is the InChIKey of [2-(ethylamino)acetyl] dodecanoate?
The InChIKey is UJRJAZOHOFAKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-3-5-6-7-8-9-10-11-12-13-15(18)20-16(19)14-17-4-2/h17H,3-14H2,1-2H3.
What are the key properties of [2-(ethylamino)acetyl] dodecanoate?
[2-(ethylamino)acetyl] dodecanoate has a molecular weight of 285.43 g/mol, XLogP of 3.59, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)acetyl] dodecanoate is sourced from PubChem (CID 87803500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).