azane;butanediamide;tetradec-3-enoic acid

C18H37N3O4 — CID 174984543

IUPACazane;butanediamide;tetradec-3-enoic acid
SMILESCCCCCCCCCCC=CCC(=O)O.N.NC(=O)CCC(N)=O
InChIInChI=1S/C14H26O2.C4H8N2O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;5-3(7)1-2-4(6)8;/h11-12H,2-10,13H2,1H3,(H,15,16);1-2H2,(H2,5,7)(H2,6,8);1H3
InChIKeyPGDZFWBNCPXPHN-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.45
Rot. Bonds14

About azane;butanediamide;tetradec-3-enoic acid

azane;butanediamide;tetradec-3-enoic acid (PubChem CID 174984543) has the molecular formula C18H37N3O4 and a molecular weight of 359.51 g/mol. Its IUPAC name is azane;butanediamide;tetradec-3-enoic acid.

Molecular Properties

Compound Nameazane;butanediamide;tetradec-3-enoic acid
PubChem CID174984543
Molecular FormulaC18H37N3O4
Molecular Weight359.51 g/mol
Exact Mass359.28
IUPAC Nameazane;butanediamide;tetradec-3-enoic acid
SMILESCCCCCCCCCCC=CCC(=O)O.N.NC(=O)CCC(N)=O
InChIInChI=1S/C14H26O2.C4H8N2O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;5-3(7)1-2-4(6)8;/h11-12H,2-10,13H2,1H3,(H,15,16);1-2H2,(H2,5,7)(H2,6,8);1H3
InChIKeyPGDZFWBNCPXPHN-UHFFFAOYSA-N
XLogP3.45
TPSA158.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

octadecanamide;octadec-9-enoic acid
CID 173130068
(Z)-tricos-15-enamide
CID 155109212
(Z)-tetratriacont-9-enamide
CID 86624387
(E)-icos-11-enamide
CID 5365373
octadec-8-enamide
CID 57212690
octadec-9-enamide
CID 75990485
nonadec-3-enamide
CID 54215031
(Z)-(113C)octadec-9-enamide
CID 175811454
(3E,6E,14E)-icosa-3,6,14-trienoic acid
CID 166679745
(3Z,6Z)-hexadeca-3,6-dienoic acid
CID 87941729
(3E,11E,14E)-icosa-3,11,14-trienoic acid
CID 23220132
(Z)-octadec-9-enamide;hydrobromide
CID 146504042

Frequently Asked Questions

What is the IUPAC name of azane;butanediamide;tetradec-3-enoic acid?
The IUPAC name of azane;butanediamide;tetradec-3-enoic acid (CID 174984543) is azane;butanediamide;tetradec-3-enoic acid.
What is the SMILES notation for azane;butanediamide;tetradec-3-enoic acid?
The canonical SMILES for azane;butanediamide;tetradec-3-enoic acid is CCCCCCCCCCC=CCC(=O)O.N.NC(=O)CCC(N)=O.
What is the InChIKey of azane;butanediamide;tetradec-3-enoic acid?
The InChIKey is PGDZFWBNCPXPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2.C4H8N2O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;5-3(7)1-2-4(6)8;/h11-12H,2-10,13H2,1H3,(H,15,16);1-2H2,(H2,5,7)(H2,6,8);1H3.
What are the key properties of azane;butanediamide;tetradec-3-enoic acid?
azane;butanediamide;tetradec-3-enoic acid has a molecular weight of 359.51 g/mol, XLogP of 3.45, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;butanediamide;tetradec-3-enoic acid is sourced from PubChem (CID 174984543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).