N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide

C20H25N3O5 — CID 9084951

IUPACN-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)NNC(=O)c1cc(C)oc1C
InChIInChI=1S/C20H25N3O5/c1-4-27-17-9-6-5-8-15(17)19(25)21-11-7-10-18(24)22-23-20(26)16-12-13(2)28-14(16)3/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyPQDNQGQEAGCFMU-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.27
Rot. Bonds8

About N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide

N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide (PubChem CID 9084951) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide
PubChem CID9084951
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC NameN-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)NNC(=O)c1cc(C)oc1C
InChIInChI=1S/C20H25N3O5/c1-4-27-17-9-6-5-8-15(17)19(25)21-11-7-10-18(24)22-23-20(26)16-12-13(2)28-14(16)3/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyPQDNQGQEAGCFMU-UHFFFAOYSA-N
XLogP2.27
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 34282135
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
4-chloro-N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]benzamide
CID 26820776
N-[4-[2-(cyclopentylcarbamothioyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide
CID 9090176
2-ethoxy-N-[4-oxo-4-(N,3,5-trimethylanilino)butyl]benzamide
CID 55919133
2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide
CID 52559669
2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide
CID 8565305
N'-[2-[(4-chlorophenyl)methoxy]benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 7976394
2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide
CID 87006201
N-[4-(4-bromo-3-methylanilino)-4-oxobutyl]-2-ethoxybenzamide
CID 8500146
2-ethoxy-N-[4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-4-oxobutyl]benzamide
CID 38304030
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide?
The IUPAC name of N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide (CID 9084951) is N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide?
The canonical SMILES for N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCCCC(=O)NNC(=O)c1cc(C)oc1C.
What is the InChIKey of N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide?
The InChIKey is PQDNQGQEAGCFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-4-27-17-9-6-5-8-15(17)19(25)21-11-7-10-18(24)22-23-20(26)16-12-13(2)28-14(16)3/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,21,25)(H,22,24)(H,23,26).
What are the key properties of N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide?
N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide has a molecular weight of 387.44 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide is sourced from PubChem (CID 9084951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).