N'-(3-methoxy-4-phenylmethoxybenzoyl)-2-methylfuran-3-carbohydrazide

C21H20N2O5 — CID 9472683

IUPACN'-(3-methoxy-4-phenylmethoxybenzoyl)-2-methylfuran-3-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccoc2C)ccc1OCc1ccccc1
InChIInChI=1S/C21H20N2O5/c1-14-17(10-11-27-14)21(25)23-22-20(24)16-8-9-18(19(12-16)26-2)28-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVYLHXMXESHWNDU-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.25
Rot. Bonds6

About N'-(3-methoxy-4-phenylmethoxybenzoyl)-2-methylfuran-3-carbohydrazide

N'-(3-methoxy-4-phenylmethoxybenzoyl)-2-methylfuran-3-carbohydrazide (PubChem CID 9472683) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is N'-(3-methoxy-4-phenylmethoxybenzoyl)-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methoxy-4-phenylmethoxybenzoyl)-2-methylfuran-3-carbohydrazide
PubChem CID9472683
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC NameN'-(3-methoxy-4-phenylmethoxybenzoyl)-2-methylfuran-3-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccoc2C)ccc1OCc1ccccc1
InChIInChI=1S/C21H20N2O5/c1-14-17(10-11-27-14)21(25)23-22-20(24)16-8-9-18(19(12-16)26-2)28-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVYLHXMXESHWNDU-UHFFFAOYSA-N
XLogP3.25
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(3-methoxy-4-phenylmethoxybenzoyl)-2-methylfuran-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-ethoxybenzoyl)-3-methoxy-4-phenylmethoxybenzohydrazide
CID 9492724
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N'-(2-chlorobenzoyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzohydrazide
CID 35929028
N-[(1R)-1-(furan-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 9481817
N'-(3,4-dimethoxybenzoyl)-2-phenylmethoxypyridine-4-carbohydrazide
CID 55996835
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 139779423
N-(cyclopropylmethyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34822397
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 55975456
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
2-methyl-N'-(2-phenylmethoxypropanoyl)furan-3-carbohydrazide
CID 46480731

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-4-phenylmethoxybenzoyl)-2-methylfuran-3-carbohydrazide?
The IUPAC name of N'-(3-methoxy-4-phenylmethoxybenzoyl)-2-methylfuran-3-carbohydrazide (CID 9472683) is N'-(3-methoxy-4-phenylmethoxybenzoyl)-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(3-methoxy-4-phenylmethoxybenzoyl)-2-methylfuran-3-carbohydrazide?
The canonical SMILES for N'-(3-methoxy-4-phenylmethoxybenzoyl)-2-methylfuran-3-carbohydrazide is COc1cc(C(=O)NNC(=O)c2ccoc2C)ccc1OCc1ccccc1.
What is the InChIKey of N'-(3-methoxy-4-phenylmethoxybenzoyl)-2-methylfuran-3-carbohydrazide?
The InChIKey is VYLHXMXESHWNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-14-17(10-11-27-14)21(25)23-22-20(24)16-8-9-18(19(12-16)26-2)28-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-(3-methoxy-4-phenylmethoxybenzoyl)-2-methylfuran-3-carbohydrazide?
N'-(3-methoxy-4-phenylmethoxybenzoyl)-2-methylfuran-3-carbohydrazide has a molecular weight of 380.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxy-4-phenylmethoxybenzoyl)-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 9472683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).