1-N-dodecyl-4-N',4-N'-diethyl-4-N-propylbutanedihydrazide

C23H48N4O2 — CID 150394471

IUPAC1-N-dodecyl-4-N',4-N'-diethyl-4-N-propylbutanedihydrazide
SMILESCCCCCCCCCCCCN(N)C(=O)CCC(=O)N(CCC)N(CC)CC
InChIInChI=1S/C23H48N4O2/c1-5-9-10-11-12-13-14-15-16-17-21-26(24)22(28)18-19-23(29)27(20-6-2)25(7-3)8-4/h5-21,24H2,1-4H3
InChIKeyHCKIETFPUHAQSG-UHFFFAOYSA-N
MW412.66 g/mol
LogP4.89
Rot. Bonds19

About 1-N-dodecyl-4-N',4-N'-diethyl-4-N-propylbutanedihydrazide

1-N-dodecyl-4-N',4-N'-diethyl-4-N-propylbutanedihydrazide (PubChem CID 150394471) has the molecular formula C23H48N4O2 and a molecular weight of 412.66 g/mol. Its IUPAC name is 1-N-dodecyl-4-N',4-N'-diethyl-4-N-propylbutanedihydrazide.

Molecular Properties

Compound Name1-N-dodecyl-4-N',4-N'-diethyl-4-N-propylbutanedihydrazide
PubChem CID150394471
Molecular FormulaC23H48N4O2
Molecular Weight412.66 g/mol
Exact Mass412.38
IUPAC Name1-N-dodecyl-4-N',4-N'-diethyl-4-N-propylbutanedihydrazide
SMILESCCCCCCCCCCCCN(N)C(=O)CCC(=O)N(CCC)N(CC)CC
InChIInChI=1S/C23H48N4O2/c1-5-9-10-11-12-13-14-15-16-17-21-26(24)22(28)18-19-23(29)27(20-6-2)25(7-3)8-4/h5-21,24H2,1-4H3
InChIKeyHCKIETFPUHAQSG-UHFFFAOYSA-N
XLogP4.89
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.66
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-N-propyloctadecanehydrazide
CID 87390408
N-butylpentanehydrazide
CID 22613544
N-propylbutanehydrazide
CID 165487733
docosanoic acid;1,1,2-triethyl-2-pentylhydrazine
CID 174949501
4-[hydroxy(tetradecyl)amino]-4-oxobutanoic acid
CID 174789202
N-methyl-N-octylnonanamide
CID 140654825
N-methyl-N-octylheptacosanamide
CID 87394998
N-ethyl-N-octylbutanamide
CID 138793187
2-methyl-N-pentylprop-2-enehydrazide
CID 87197020
N'-nonyl-N'-undecylbutanediamide;propane
CID 172578364
10-[methyl(pentyl)amino]-10-oxodecanoic acid
CID 143390074
dodecyl 4-[methyl(octadecyl)amino]-4-oxobutanoate
CID 101425995

Frequently Asked Questions

What is the IUPAC name of 1-N-dodecyl-4-N',4-N'-diethyl-4-N-propylbutanedihydrazide?
The IUPAC name of 1-N-dodecyl-4-N',4-N'-diethyl-4-N-propylbutanedihydrazide (CID 150394471) is 1-N-dodecyl-4-N',4-N'-diethyl-4-N-propylbutanedihydrazide.
What is the SMILES notation for 1-N-dodecyl-4-N',4-N'-diethyl-4-N-propylbutanedihydrazide?
The canonical SMILES for 1-N-dodecyl-4-N',4-N'-diethyl-4-N-propylbutanedihydrazide is CCCCCCCCCCCCN(N)C(=O)CCC(=O)N(CCC)N(CC)CC.
What is the InChIKey of 1-N-dodecyl-4-N',4-N'-diethyl-4-N-propylbutanedihydrazide?
The InChIKey is HCKIETFPUHAQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N4O2/c1-5-9-10-11-12-13-14-15-16-17-21-26(24)22(28)18-19-23(29)27(20-6-2)25(7-3)8-4/h5-21,24H2,1-4H3.
What are the key properties of 1-N-dodecyl-4-N',4-N'-diethyl-4-N-propylbutanedihydrazide?
1-N-dodecyl-4-N',4-N'-diethyl-4-N-propylbutanedihydrazide has a molecular weight of 412.66 g/mol, XLogP of 4.89, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-dodecyl-4-N',4-N'-diethyl-4-N-propylbutanedihydrazide is sourced from PubChem (CID 150394471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).