1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide

C20H22N4O4 — CID 4630875

IUPAC1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
SMILESCc1ccccc1C(=O)NNC(=O)CCC(=O)NNC(=O)c1ccccc1C
InChIInChI=1S/C20H22N4O4/c1-13-7-3-5-9-15(13)19(27)23-21-17(25)11-12-18(26)22-24-20(28)16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,26)(H,23,27)(H,24,28)
InChIKeyBGQRABDPWMMIOU-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.31
Rot. Bonds5

About 1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide

1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide (PubChem CID 4630875) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide.

Molecular Properties

Compound Name1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
PubChem CID4630875
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
SMILESCc1ccccc1C(=O)NNC(=O)CCC(=O)NNC(=O)c1ccccc1C
InChIInChI=1S/C20H22N4O4/c1-13-7-3-5-9-15(13)19(27)23-21-17(25)11-12-18(26)22-24-20(28)16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,26)(H,23,27)(H,24,28)
InChIKeyBGQRABDPWMMIOU-UHFFFAOYSA-N
XLogP1.31
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 9084877
tert-butyl N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]carbamate
CID 9224304
4-chloro-N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9220953
1-methyl-3-[(2-methylbenzoyl)amino]thiourea
CID 2731335
2-methyl-N'-[4-oxo-4-(4-propoxyphenyl)butanoyl]benzohydrazide
CID 9220935
2-methyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9086797
N'-[4-(3,4-dichlorophenyl)butanoyl]-2-methylbenzohydrazide
CID 55822719
N-[(butanoylamino)carbamothioyl]-2-methylbenzamide
CID 17340131
2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9220655
N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbenzohydrazide
CID 732287
N-[3-[2-(2-methylbenzoyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 46520523
1-ethyl-3-[(2-methylbenzoyl)amino]thiourea
CID 4299886

Frequently Asked Questions

What is the IUPAC name of 1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide?
The IUPAC name of 1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide (CID 4630875) is 1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide.
What is the SMILES notation for 1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide?
The canonical SMILES for 1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide is Cc1ccccc1C(=O)NNC(=O)CCC(=O)NNC(=O)c1ccccc1C.
What is the InChIKey of 1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide?
The InChIKey is BGQRABDPWMMIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-13-7-3-5-9-15(13)19(27)23-21-17(25)11-12-18(26)22-24-20(28)16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,26)(H,23,27)(H,24,28).
What are the key properties of 1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide?
1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide has a molecular weight of 382.42 g/mol, XLogP of 1.31, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide is sourced from PubChem (CID 4630875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).