3,5-di(pentadecoxy)benzamide

C37H67NO3 — CID 69275649

IUPAC3,5-di(pentadecoxy)benzamide
SMILESCCCCCCCCCCCCCCCOc1cc(OCCCCCCCCCCCCCCC)cc(C(N)=O)c1
InChIInChI=1S/C37H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-40-35-31-34(37(38)39)32-36(33-35)41-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-33H,3-30H2,1-2H3,(H2,38,39)
InChIKeyHEBDOTQGUJVIJO-UHFFFAOYSA-N
MW573.95 g/mol
LogP11.73
Rot. Bonds31

About 3,5-di(pentadecoxy)benzamide

3,5-di(pentadecoxy)benzamide (PubChem CID 69275649) has the molecular formula C37H67NO3 and a molecular weight of 573.95 g/mol. Its IUPAC name is 3,5-di(pentadecoxy)benzamide.

Molecular Properties

Compound Name3,5-di(pentadecoxy)benzamide
PubChem CID69275649
Molecular FormulaC37H67NO3
Molecular Weight573.95 g/mol
Exact Mass573.51
IUPAC Name3,5-di(pentadecoxy)benzamide
SMILESCCCCCCCCCCCCCCCOc1cc(OCCCCCCCCCCCCCCC)cc(C(N)=O)c1
InChIInChI=1S/C37H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-40-35-31-34(37(38)39)32-36(33-35)41-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-33H,3-30H2,1-2H3,(H2,38,39)
InChIKeyHEBDOTQGUJVIJO-UHFFFAOYSA-N
XLogP11.73
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds31
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.95
LogP ≤ 511.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3,5-di(pentadecoxy)phenyl]ethanone
CID 70379796
methyl 3,5-di(nonoxy)benzoate
CID 69305989
methyl 3-pentadecoxy-5-undecoxybenzoate
CID 166142932
5-nonoxybenzene-1,3-dicarboxylic acid
CID 101082617
2-[3-[3-carbamoyl-5-[2-(2-hexanoyloxyethylsulfanyl)ethoxy]phenoxy]propylsulfanyl]ethyl hexanoate
CID 174322000
3-heptoxy-5-methoxybenzenecarbothioamide
CID 103567277
3-methoxy-5-octoxybenzenecarbothioamide
CID 103567279
3-(5-butoxypentoxy)benzamide
CID 71713772
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,5-didodecoxybenzoate
CID 102270700
3-hexoxy-5-(4-methylpentoxy)benzoic acid
CID 145448614
2-(4-heptoxyphenyl)pyrimidine-5-carboxamide
CID 14745788
1,2-bis(3-hexoxyphenyl)ethane-1,2-dione
CID 71777687

Frequently Asked Questions

What is the IUPAC name of 3,5-di(pentadecoxy)benzamide?
The IUPAC name of 3,5-di(pentadecoxy)benzamide (CID 69275649) is 3,5-di(pentadecoxy)benzamide.
What is the SMILES notation for 3,5-di(pentadecoxy)benzamide?
The canonical SMILES for 3,5-di(pentadecoxy)benzamide is CCCCCCCCCCCCCCCOc1cc(OCCCCCCCCCCCCCCC)cc(C(N)=O)c1.
What is the InChIKey of 3,5-di(pentadecoxy)benzamide?
The InChIKey is HEBDOTQGUJVIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-40-35-31-34(37(38)39)32-36(33-35)41-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-33H,3-30H2,1-2H3,(H2,38,39).
What are the key properties of 3,5-di(pentadecoxy)benzamide?
3,5-di(pentadecoxy)benzamide has a molecular weight of 573.95 g/mol, XLogP of 11.73, 31 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(pentadecoxy)benzamide is sourced from PubChem (CID 69275649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).