1-N',3-N'-di(dodecanoyl)benzene-1,3-dicarbohydrazide

C32H54N4O4 — CID 3092349

IUPAC1-N',3-N'-di(dodecanoyl)benzene-1,3-dicarbohydrazide
SMILESCCCCCCCCCCCC(=O)NNC(=O)c1cccc(C(=O)NNC(=O)CCCCCCCCCCC)c1
InChIInChI=1S/C32H54N4O4/c1-3-5-7-9-11-13-15-17-19-24-29(37)33-35-31(39)27-22-21-23-28(26-27)32(40)36-34-30(38)25-20-18-16-14-12-10-8-6-4-2/h21-23,26H,3-20,24-25H2,1-2H3,(H,33,37)(H,34,38)(H,35,39)(H,36,40)
InChIKeyIEUFQPNWEFNTPR-UHFFFAOYSA-N
MW558.81 g/mol
LogP7.05
Rot. Bonds22

About 1-N',3-N'-di(dodecanoyl)benzene-1,3-dicarbohydrazide

1-N',3-N'-di(dodecanoyl)benzene-1,3-dicarbohydrazide (PubChem CID 3092349) has the molecular formula C32H54N4O4 and a molecular weight of 558.81 g/mol. Its IUPAC name is 1-N',3-N'-di(dodecanoyl)benzene-1,3-dicarbohydrazide.

Molecular Properties

Compound Name1-N',3-N'-di(dodecanoyl)benzene-1,3-dicarbohydrazide
PubChem CID3092349
Molecular FormulaC32H54N4O4
Molecular Weight558.81 g/mol
Exact Mass558.41
IUPAC Name1-N',3-N'-di(dodecanoyl)benzene-1,3-dicarbohydrazide
SMILESCCCCCCCCCCCC(=O)NNC(=O)c1cccc(C(=O)NNC(=O)CCCCCCCCCCC)c1
InChIInChI=1S/C32H54N4O4/c1-3-5-7-9-11-13-15-17-19-24-29(37)33-35-31(39)27-22-21-23-28(26-27)32(40)36-34-30(38)25-20-18-16-14-12-10-8-6-4-2/h21-23,26H,3-20,24-25H2,1-2H3,(H,33,37)(H,34,38)(H,35,39)(H,36,40)
InChIKeyIEUFQPNWEFNTPR-UHFFFAOYSA-N
XLogP7.05
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.81
LogP ≤ 57.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N'-octanoylbenzohydrazide
CID 2218282
N'-octanoylbenzohydrazide
CID 4227469
N'-heptanoylbenzohydrazide
CID 4218130
N'-nonanoylbenzohydrazide
CID 5163159
3-nitro-N'-tetradecanoylbenzohydrazide
CID 54791907
3-methoxy-N'-pentanoylbenzohydrazide
CID 3117671
N'-decanoylpyridine-3-carbohydrazide
CID 132992060
N'-dodecanoylpyridine-3-carbohydrazide
CID 171977470
4-methyl-N'-octanoylbenzohydrazide
CID 4958769
3-(azidomethyl)-N'-hexanoylbenzohydrazide
CID 150083368
N'-tetradecanoylpyridine-4-carbohydrazide
CID 54792198
N'-dodecanoyl-4-heptylbenzohydrazide
CID 3103832

Frequently Asked Questions

What is the IUPAC name of 1-N',3-N'-di(dodecanoyl)benzene-1,3-dicarbohydrazide?
The IUPAC name of 1-N',3-N'-di(dodecanoyl)benzene-1,3-dicarbohydrazide (CID 3092349) is 1-N',3-N'-di(dodecanoyl)benzene-1,3-dicarbohydrazide.
What is the SMILES notation for 1-N',3-N'-di(dodecanoyl)benzene-1,3-dicarbohydrazide?
The canonical SMILES for 1-N',3-N'-di(dodecanoyl)benzene-1,3-dicarbohydrazide is CCCCCCCCCCCC(=O)NNC(=O)c1cccc(C(=O)NNC(=O)CCCCCCCCCCC)c1.
What is the InChIKey of 1-N',3-N'-di(dodecanoyl)benzene-1,3-dicarbohydrazide?
The InChIKey is IEUFQPNWEFNTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54N4O4/c1-3-5-7-9-11-13-15-17-19-24-29(37)33-35-31(39)27-22-21-23-28(26-27)32(40)36-34-30(38)25-20-18-16-14-12-10-8-6-4-2/h21-23,26H,3-20,24-25H2,1-2H3,(H,33,37)(H,34,38)(H,35,39)(H,36,40).
What are the key properties of 1-N',3-N'-di(dodecanoyl)benzene-1,3-dicarbohydrazide?
1-N',3-N'-di(dodecanoyl)benzene-1,3-dicarbohydrazide has a molecular weight of 558.81 g/mol, XLogP of 7.05, 22 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',3-N'-di(dodecanoyl)benzene-1,3-dicarbohydrazide is sourced from PubChem (CID 3092349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).