azane;[2-(methylamino)acetyl] tetradecanoate

C17H36N2O3 — CID 87240252

IUPACazane;[2-(methylamino)acetyl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC(=O)CNC.N
InChIInChI=1S/C17H33NO3.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)21-17(20)15-18-2;/h18H,3-15H2,1-2H3;1H3
InChIKeySBNQPJPTUNPXOR-UHFFFAOYSA-N
MW316.49 g/mol
LogP4.14
Rot. Bonds14

About azane;[2-(methylamino)acetyl] tetradecanoate

azane;[2-(methylamino)acetyl] tetradecanoate (PubChem CID 87240252) has the molecular formula C17H36N2O3 and a molecular weight of 316.49 g/mol. Its IUPAC name is azane;[2-(methylamino)acetyl] tetradecanoate.

Molecular Properties

Compound Nameazane;[2-(methylamino)acetyl] tetradecanoate
PubChem CID87240252
Molecular FormulaC17H36N2O3
Molecular Weight316.49 g/mol
Exact Mass316.27
IUPAC Nameazane;[2-(methylamino)acetyl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC(=O)CNC.N
InChIInChI=1S/C17H33NO3.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)21-17(20)15-18-2;/h18H,3-15H2,1-2H3;1H3
InChIKeySBNQPJPTUNPXOR-UHFFFAOYSA-N
XLogP4.14
TPSA90.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[2-(methylamino)acetyl] octadecanoate
CID 57485427
CID 175839968
CID 175839968
CID 175920376
CID 175920376
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209
henicosanoyl docosanoate
CID 175302110
diheptanoyl propanedioate
CID 57094190
ethane;octadecanoyl octadecanoate
CID 174636018
dodecanoyl dodecanoate;sulfane
CID 174888621
[2-(ethylamino)acetyl] dodecanoate
CID 87803500

Frequently Asked Questions

What is the IUPAC name of azane;[2-(methylamino)acetyl] tetradecanoate?
The IUPAC name of azane;[2-(methylamino)acetyl] tetradecanoate (CID 87240252) is azane;[2-(methylamino)acetyl] tetradecanoate.
What is the SMILES notation for azane;[2-(methylamino)acetyl] tetradecanoate?
The canonical SMILES for azane;[2-(methylamino)acetyl] tetradecanoate is CCCCCCCCCCCCCC(=O)OC(=O)CNC.N.
What is the InChIKey of azane;[2-(methylamino)acetyl] tetradecanoate?
The InChIKey is SBNQPJPTUNPXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)21-17(20)15-18-2;/h18H,3-15H2,1-2H3;1H3.
What are the key properties of azane;[2-(methylamino)acetyl] tetradecanoate?
azane;[2-(methylamino)acetyl] tetradecanoate has a molecular weight of 316.49 g/mol, XLogP of 4.14, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;[2-(methylamino)acetyl] tetradecanoate is sourced from PubChem (CID 87240252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).