2,4,5-trimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide

C16H18N2O3 — CID 46636577

IUPAC2,4,5-trimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C16H18N2O3/c1-9-7-5-6-8-13(9)15(19)17-18-16(20)14-10(2)11(3)21-12(14)4/h5-8H,1-4H3,(H,17,19)(H,18,20)
InChIKeyTVLNYOCPEPIWED-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.59
Rot. Bonds2

About 2,4,5-trimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide

2,4,5-trimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide (PubChem CID 46636577) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2,4,5-trimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name2,4,5-trimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
PubChem CID46636577
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2,4,5-trimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C16H18N2O3/c1-9-7-5-6-8-13(9)15(19)17-18-16(20)14-10(2)11(3)21-12(14)4/h5-8H,1-4H3,(H,17,19)(H,18,20)
InChIKeyTVLNYOCPEPIWED-UHFFFAOYSA-N
XLogP2.59
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
2-methyl-N'-(2-methylcyclopropanecarbonyl)benzohydrazide
CID 47102090
1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
CID 4630875
tert-butyl N-[(2-methylbenzoyl)amino]carbamate
CID 2218283
1-methyl-3-[(2-methylbenzoyl)amino]thiourea
CID 2731335
2-methyl-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
CID 909150
N'-[2-(4-chlorophenyl)acetyl]-2,4,5-trimethylfuran-3-carbohydrazide
CID 26996819
N'-(4-chlorobenzoyl)-2-methylbenzohydrazide
CID 795258
N-(2-benzamidoethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 38205917
N'-(2-methylbenzoyl)oxolane-2-carbohydrazide
CID 51164592
3,5-dichloro-N'-(2-methylbenzoyl)benzohydrazide
CID 17133584
N-tert-butyl-2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoacetamide
CID 17386895

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide?
The IUPAC name of 2,4,5-trimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide (CID 46636577) is 2,4,5-trimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide.
What is the SMILES notation for 2,4,5-trimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide?
The canonical SMILES for 2,4,5-trimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide is Cc1ccccc1C(=O)NNC(=O)c1c(C)oc(C)c1C.
What is the InChIKey of 2,4,5-trimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide?
The InChIKey is TVLNYOCPEPIWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9-7-5-6-8-13(9)15(19)17-18-16(20)14-10(2)11(3)21-12(14)4/h5-8H,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 2,4,5-trimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide?
2,4,5-trimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide has a molecular weight of 286.33 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide is sourced from PubChem (CID 46636577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).