2-methyl-N'-[(2S)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]furan-3-carbohydrazide

C19H24N2O4 — CID 51958181

IUPAC2-methyl-N'-[(2S)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]furan-3-carbohydrazide
SMILESCc1cc(O[C@@H](C)C(=O)NNC(=O)c2ccoc2C)ccc1C(C)C
InChIInChI=1S/C19H24N2O4/c1-11(2)16-7-6-15(10-12(16)3)25-14(5)18(22)20-21-19(23)17-8-9-24-13(17)4/h6-11,14H,1-5H3,(H,20,22)(H,21,23)/t14-/m0/s1
InChIKeyDSSZAMYHGBNNOR-AWEZNQCLSA-N
MW344.41 g/mol
LogP3.25
Rot. Bonds5

About 2-methyl-N'-[(2S)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]furan-3-carbohydrazide

2-methyl-N'-[(2S)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]furan-3-carbohydrazide (PubChem CID 51958181) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-methyl-N'-[(2S)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[(2S)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]furan-3-carbohydrazide
PubChem CID51958181
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-methyl-N'-[(2S)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]furan-3-carbohydrazide
SMILESCc1cc(O[C@@H](C)C(=O)NNC(=O)c2ccoc2C)ccc1C(C)C
InChIInChI=1S/C19H24N2O4/c1-11(2)16-7-6-15(10-12(16)3)25-14(5)18(22)20-21-19(23)17-8-9-24-13(17)4/h6-11,14H,1-5H3,(H,20,22)(H,21,23)/t14-/m0/s1
InChIKeyDSSZAMYHGBNNOR-AWEZNQCLSA-N
XLogP3.25
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.25
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'-[2-(3-methylphenoxy)propanoyl]furan-3-carbohydrazide
CID 18104346
2-methyl-N'-(2-methylbutanoyl)furan-3-carbohydrazide
CID 43042434
2-methyl-N'-(2-phenylmethoxypropanoyl)furan-3-carbohydrazide
CID 46480731
N'-[2-(4-chlorophenoxy)propanoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 51145728
N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119504142
N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 119385381
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-propan-2-yloxybenzohydrazide
CID 17169456
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 17169425
2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47095242
N'-[2-(4-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide
CID 17046473
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 55787034
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 17169390

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(2S)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]furan-3-carbohydrazide?
The IUPAC name of 2-methyl-N'-[(2S)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]furan-3-carbohydrazide (CID 51958181) is 2-methyl-N'-[(2S)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-[(2S)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-N'-[(2S)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]furan-3-carbohydrazide is Cc1cc(O[C@@H](C)C(=O)NNC(=O)c2ccoc2C)ccc1C(C)C.
What is the InChIKey of 2-methyl-N'-[(2S)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]furan-3-carbohydrazide?
The InChIKey is DSSZAMYHGBNNOR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-11(2)16-7-6-15(10-12(16)3)25-14(5)18(22)20-21-19(23)17-8-9-24-13(17)4/h6-11,14H,1-5H3,(H,20,22)(H,21,23)/t14-/m0/s1.
What are the key properties of 2-methyl-N'-[(2S)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]furan-3-carbohydrazide?
2-methyl-N'-[(2S)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]furan-3-carbohydrazide has a molecular weight of 344.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(2S)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]furan-3-carbohydrazide is sourced from PubChem (CID 51958181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).