[2-(methylamino)acetyl] 13-methyltetradecanoate

C18H35NO3 — CID 141099041

IUPAC[2-(methylamino)acetyl] 13-methyltetradecanoate
SMILESCNCC(=O)OC(=O)CCCCCCCCCCCC(C)C
InChIInChI=1S/C18H35NO3/c1-16(2)13-11-9-7-5-4-6-8-10-12-14-17(20)22-18(21)15-19-3/h16,19H,4-15H2,1-3H3
InChIKeyUGCZLCWUHKIPEO-UHFFFAOYSA-N
MW313.48 g/mol
LogP4.22
Rot. Bonds14

About [2-(methylamino)acetyl] 13-methyltetradecanoate

[2-(methylamino)acetyl] 13-methyltetradecanoate (PubChem CID 141099041) has the molecular formula C18H35NO3 and a molecular weight of 313.48 g/mol. Its IUPAC name is [2-(methylamino)acetyl] 13-methyltetradecanoate.

Molecular Properties

Compound Name[2-(methylamino)acetyl] 13-methyltetradecanoate
PubChem CID141099041
Molecular FormulaC18H35NO3
Molecular Weight313.48 g/mol
Exact Mass313.26
IUPAC Name[2-(methylamino)acetyl] 13-methyltetradecanoate
SMILESCNCC(=O)OC(=O)CCCCCCCCCCCC(C)C
InChIInChI=1S/C18H35NO3/c1-16(2)13-11-9-7-5-4-6-8-10-12-14-17(20)22-18(21)15-19-3/h16,19H,4-15H2,1-3H3
InChIKeyUGCZLCWUHKIPEO-UHFFFAOYSA-N
XLogP4.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 54.22
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

7-methyloctanoyl 16-methylheptadecanoate
CID 140995309
dodecanoyl 16-methylheptadecanoate
CID 141056347
[2-(methylamino)acetyl] octadecanoate
CID 57485427
azane;[2-(methylamino)acetyl] tetradecanoate
CID 87240252
CID 175839968
CID 175839968
methyl 21-methyldocosanoate
CID 14178788
7-methyloctanoyl 6-methyloctanoate
CID 175540560
CID 175920376
CID 175920376
sodium 4-(6-methylheptanoyloxy)-4-oxobutanoate
CID 175289893
trideuteriomethyl 8-methylnonanoate
CID 169442552
octadecanoyl (9Z,12Z)-32-methyltritriaconta-9,12-dienoate
CID 141045889
9-methyldecyl 13-methyltetradecanoate
CID 139914399

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)acetyl] 13-methyltetradecanoate?
The IUPAC name of [2-(methylamino)acetyl] 13-methyltetradecanoate (CID 141099041) is [2-(methylamino)acetyl] 13-methyltetradecanoate.
What is the SMILES notation for [2-(methylamino)acetyl] 13-methyltetradecanoate?
The canonical SMILES for [2-(methylamino)acetyl] 13-methyltetradecanoate is CNCC(=O)OC(=O)CCCCCCCCCCCC(C)C.
What is the InChIKey of [2-(methylamino)acetyl] 13-methyltetradecanoate?
The InChIKey is UGCZLCWUHKIPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO3/c1-16(2)13-11-9-7-5-4-6-8-10-12-14-17(20)22-18(21)15-19-3/h16,19H,4-15H2,1-3H3.
What are the key properties of [2-(methylamino)acetyl] 13-methyltetradecanoate?
[2-(methylamino)acetyl] 13-methyltetradecanoate has a molecular weight of 313.48 g/mol, XLogP of 4.22, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)acetyl] 13-methyltetradecanoate is sourced from PubChem (CID 141099041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).