N'-[3-(methoxymethyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide

C16H18N2O4 — CID 9277099

IUPACN'-[3-(methoxymethyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCOCc1cccc(C(=O)NNC(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C16H18N2O4/c1-10-7-14(11(2)22-10)16(20)18-17-15(19)13-6-4-5-12(8-13)9-21-3/h4-8H,9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyBHKATMQPYBDQDR-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.12
Rot. Bonds4

About N'-[3-(methoxymethyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide

N'-[3-(methoxymethyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 9277099) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N'-[3-(methoxymethyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(methoxymethyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
PubChem CID9277099
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN'-[3-(methoxymethyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCOCc1cccc(C(=O)NNC(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C16H18N2O4/c1-10-7-14(11(2)22-10)16(20)18-17-15(19)13-6-4-5-12(8-13)9-21-3/h4-8H,9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyBHKATMQPYBDQDR-UHFFFAOYSA-N
XLogP2.12
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
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-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]acetamide
CID 7808968
2,5-dimethyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]furan-3-carbohydrazide
CID 55407334
N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide
CID 47102396
2,5-dimethyl-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)furan-3-carbohydrazide
CID 4782675
N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(methoxymethyl)benzohydrazide
CID 26259356
N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715709
3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35000765
N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 26784336
2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid
CID 43170851
2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide
CID 9468106
1-tert-butyl-3-[[3-(methoxymethyl)benzoyl]amino]thiourea
CID 9425953

Frequently Asked Questions

What is the IUPAC name of N'-[3-(methoxymethyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-[3-(methoxymethyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide (CID 9277099) is N'-[3-(methoxymethyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[3-(methoxymethyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-[3-(methoxymethyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide is COCc1cccc(C(=O)NNC(=O)c2cc(C)oc2C)c1.
What is the InChIKey of N'-[3-(methoxymethyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is BHKATMQPYBDQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10-7-14(11(2)22-10)16(20)18-17-15(19)13-6-4-5-12(8-13)9-21-3/h4-8H,9H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N'-[3-(methoxymethyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide?
N'-[3-(methoxymethyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 302.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(methoxymethyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 9277099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).