N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]furan-2-carbohydrazide

C18H22N2O5 — CID 9476382

IUPACN'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]furan-2-carbohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2ccco2)ccc1OCC(C)C
InChIInChI=1S/C18H22N2O5/c1-4-23-16-10-13(7-8-14(16)25-11-12(2)3)17(21)19-20-18(22)15-6-5-9-24-15/h5-10,12H,4,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyKYDFSBZIAMLKOK-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.79
Rot. Bonds7

About N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]furan-2-carbohydrazide

N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]furan-2-carbohydrazide (PubChem CID 9476382) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]furan-2-carbohydrazide
PubChem CID9476382
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]furan-2-carbohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2ccco2)ccc1OCC(C)C
InChIInChI=1S/C18H22N2O5/c1-4-23-16-10-13(7-8-14(16)25-11-12(2)3)17(21)19-20-18(22)15-6-5-9-24-15/h5-10,12H,4,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyKYDFSBZIAMLKOK-UHFFFAOYSA-N
XLogP2.79
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide
CID 9476415
N-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 8901422
N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-2,4-dimethylbenzohydrazide
CID 9276247
N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide
CID 17489065
N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 4788258
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 51262699
3-ethoxy-N'-[2-(3-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 24538750
N-[2-[[4-[(3,4-diethoxybenzoyl)amino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062797
N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 2549012
N-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 9095687
3-ethoxy-N-(2-fluorophenyl)-4-(2-methylpropoxy)benzamide
CID 9413695
N'-(3-chloro-5-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide
CID 9476532

Frequently Asked Questions

What is the IUPAC name of N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]furan-2-carbohydrazide?
The IUPAC name of N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]furan-2-carbohydrazide (CID 9476382) is N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]furan-2-carbohydrazide is CCOc1cc(C(=O)NNC(=O)c2ccco2)ccc1OCC(C)C.
What is the InChIKey of N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]furan-2-carbohydrazide?
The InChIKey is KYDFSBZIAMLKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-4-23-16-10-13(7-8-14(16)25-11-12(2)3)17(21)19-20-18(22)15-6-5-9-24-15/h5-10,12H,4,11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]furan-2-carbohydrazide?
N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]furan-2-carbohydrazide has a molecular weight of 346.38 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]furan-2-carbohydrazide is sourced from PubChem (CID 9476382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).