2-methyl-N'-[2-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide

C16H18N2O4 — CID 18104346

IUPAC2-methyl-N'-[2-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2ccoc2C)c1
InChIInChI=1S/C16H18N2O4/c1-10-5-4-6-13(9-10)22-12(3)15(19)17-18-16(20)14-7-8-21-11(14)2/h4-9,12H,1-3H3,(H,17,19)(H,18,20)
InChIKeyPGIPUMHCPKCRBZ-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.12
Rot. Bonds4

About 2-methyl-N'-[2-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide

2-methyl-N'-[2-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide (PubChem CID 18104346) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-methyl-N'-[2-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[2-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide
PubChem CID18104346
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-methyl-N'-[2-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2ccoc2C)c1
InChIInChI=1S/C16H18N2O4/c1-10-5-4-6-13(9-10)22-12(3)15(19)17-18-16(20)14-7-8-21-11(14)2/h4-9,12H,1-3H3,(H,17,19)(H,18,20)
InChIKeyPGIPUMHCPKCRBZ-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

2-methyl-N'-[(2S)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]furan-3-carbohydrazide
CID 51958181
N'-[2-(3-methylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4931321
N'-(2,2-diphenylacetyl)-2-(3-methylphenoxy)propanehydrazide
CID 4931348
2-methyl-N'-(2-phenylmethoxypropanoyl)furan-3-carbohydrazide
CID 46480731
N'-[(2R)-2-(3-bromophenoxy)propanoyl]-2,4-dimethylbenzohydrazide
CID 25485792
2-(3-methylphenoxy)propanehydrazide
CID 3021693
(2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide
CID 124561386
2-methyl-N'-(2-methylbutanoyl)furan-3-carbohydrazide
CID 43042434
2-methyl-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]furan-3-carbohydrazide
CID 9472636
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide?
The IUPAC name of 2-methyl-N'-[2-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide (CID 18104346) is 2-methyl-N'-[2-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-[2-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-N'-[2-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide is Cc1cccc(OC(C)C(=O)NNC(=O)c2ccoc2C)c1.
What is the InChIKey of 2-methyl-N'-[2-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide?
The InChIKey is PGIPUMHCPKCRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10-5-4-6-13(9-10)22-12(3)15(19)17-18-16(20)14-7-8-21-11(14)2/h4-9,12H,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 2-methyl-N'-[2-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide?
2-methyl-N'-[2-(3-methylphenoxy)propanoyl]furan-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 2-methyl-N'-[2-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide is sourced from PubChem (CID 18104346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).