2-propylhexadecanediamide

C19H38N2O2 — CID 142717306

IUPAC2-propylhexadecanediamide
SMILESCCCC(CCCCCCCCCCCCCC(N)=O)C(N)=O
InChIInChI=1S/C19H38N2O2/c1-2-14-17(19(21)23)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)22/h17H,2-16H2,1H3,(H2,20,22)(H2,21,23)
InChIKeyUNELGITWZFYFBZ-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.44
Rot. Bonds17

About 2-propylhexadecanediamide

2-propylhexadecanediamide (PubChem CID 142717306) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 2-propylhexadecanediamide.

Molecular Properties

Compound Name2-propylhexadecanediamide
PubChem CID142717306
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Name2-propylhexadecanediamide
SMILESCCCC(CCCCCCCCCCCCCC(N)=O)C(N)=O
InChIInChI=1S/C19H38N2O2/c1-2-14-17(19(21)23)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)22/h17H,2-16H2,1H3,(H2,20,22)(H2,21,23)
InChIKeyUNELGITWZFYFBZ-UHFFFAOYSA-N
XLogP4.44
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-undecylhexanediamide
CID 174629940
2-ethylhexadecanamide;octadecanamide
CID 159948815
2-ethyloctadecanamide;hexadecanamide
CID 174921591
2,9-dibutyldecanediamide
CID 141080467
2-propylhexanamide
CID 19818979
2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
6-amino-2-propylhexanamide
CID 57133562
2-butyltetradecanamide
CID 57191211
2-butyldodecanamide
CID 88685822
5-hydroxy-2-propylpentanamide
CID 21402979

Frequently Asked Questions

What is the IUPAC name of 2-propylhexadecanediamide?
The IUPAC name of 2-propylhexadecanediamide (CID 142717306) is 2-propylhexadecanediamide.
What is the SMILES notation for 2-propylhexadecanediamide?
The canonical SMILES for 2-propylhexadecanediamide is CCCC(CCCCCCCCCCCCCC(N)=O)C(N)=O.
What is the InChIKey of 2-propylhexadecanediamide?
The InChIKey is UNELGITWZFYFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-2-14-17(19(21)23)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)22/h17H,2-16H2,1H3,(H2,20,22)(H2,21,23).
What are the key properties of 2-propylhexadecanediamide?
2-propylhexadecanediamide has a molecular weight of 326.53 g/mol, XLogP of 4.44, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylhexadecanediamide is sourced from PubChem (CID 142717306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).