2-methyl-N'-(4-methylpentanoyl)furan-3-carbohydrazide

C12H18N2O3 — CID 31287028

IUPAC2-methyl-N'-(4-methylpentanoyl)furan-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)CCC(C)C
InChIInChI=1S/C12H18N2O3/c1-8(2)4-5-11(15)13-14-12(16)10-6-7-17-9(10)3/h6-8H,4-5H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyUORABETWGRTZGM-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.79
Rot. Bonds4

About 2-methyl-N'-(4-methylpentanoyl)furan-3-carbohydrazide

2-methyl-N'-(4-methylpentanoyl)furan-3-carbohydrazide (PubChem CID 31287028) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-methyl-N'-(4-methylpentanoyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-(4-methylpentanoyl)furan-3-carbohydrazide
PubChem CID31287028
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-methyl-N'-(4-methylpentanoyl)furan-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)CCC(C)C
InChIInChI=1S/C12H18N2O3/c1-8(2)4-5-11(15)13-14-12(16)10-6-7-17-9(10)3/h6-8H,4-5H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyUORABETWGRTZGM-UHFFFAOYSA-N
XLogP1.79
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.79
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

5-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-5-oxopentanoic acid
CID 5103163
2-methyl-N'-(3-methylsulfanylpropanoyl)furan-3-carbohydrazide
CID 34756674
2-methyl-N'-(2-methylbutanoyl)furan-3-carbohydrazide
CID 43042434
2-methyl-N-(2-methylpropoxy)furan-3-carboxamide
CID 115409998
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
N'-[3-(benzenesulfonyl)propanoyl]-2-methylfuran-3-carbohydrazide
CID 9472671
N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide
CID 40584922
N'-[2-(4-methoxyphenoxy)acetyl]-2-methylfuran-3-carbohydrazide
CID 922681
1-[(2-methylfuran-3-carbonyl)amino]-3-(4-phenylbutan-2-yl)urea
CID 42952795
2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 16774723
2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]furan-3-carbohydrazide
CID 24633129
N-iodo-2-methylfuran-3-carboxamide
CID 170236265

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(4-methylpentanoyl)furan-3-carbohydrazide?
The IUPAC name of 2-methyl-N'-(4-methylpentanoyl)furan-3-carbohydrazide (CID 31287028) is 2-methyl-N'-(4-methylpentanoyl)furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-(4-methylpentanoyl)furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-N'-(4-methylpentanoyl)furan-3-carbohydrazide is Cc1occc1C(=O)NNC(=O)CCC(C)C.
What is the InChIKey of 2-methyl-N'-(4-methylpentanoyl)furan-3-carbohydrazide?
The InChIKey is UORABETWGRTZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(2)4-5-11(15)13-14-12(16)10-6-7-17-9(10)3/h6-8H,4-5H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of 2-methyl-N'-(4-methylpentanoyl)furan-3-carbohydrazide?
2-methyl-N'-(4-methylpentanoyl)furan-3-carbohydrazide has a molecular weight of 238.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(4-methylpentanoyl)furan-3-carbohydrazide is sourced from PubChem (CID 31287028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).