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

C16H19N3O5 — CID 34282135

IUPACN-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]furan-2-carboxamide
SMILESCc1cc(C(=O)NNC(=O)CCCNC(=O)c2ccco2)c(C)o1
InChIInChI=1S/C16H19N3O5/c1-10-9-12(11(2)24-10)15(21)19-18-14(20)6-3-7-17-16(22)13-5-4-8-23-13/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeySOOAPPLTUQXIEK-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.46
Rot. Bonds6

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

N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]furan-2-carboxamide (PubChem CID 34282135) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]furan-2-carboxamide
PubChem CID34282135
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC NameN-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]furan-2-carboxamide
SMILESCc1cc(C(=O)NNC(=O)CCCNC(=O)c2ccco2)c(C)o1
InChIInChI=1S/C16H19N3O5/c1-10-9-12(11(2)24-10)15(21)19-18-14(20)6-3-7-17-16(22)13-5-4-8-23-13/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeySOOAPPLTUQXIEK-UHFFFAOYSA-N
XLogP1.46
TPSA113.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.46
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'}

Analyze N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]furan-2-carboxamide 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-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 30797202
4-chloro-N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]benzamide
CID 26820776
N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide
CID 9084951
N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 31727361
4-tert-butyl-N-[3-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
CID 4787903
ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate
CID 61343133
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 42018071
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[4-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 27690460
N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 43418787
N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 79030673
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]furan-2-carboxamide (CID 34282135) is N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]furan-2-carboxamide is Cc1cc(C(=O)NNC(=O)CCCNC(=O)c2ccco2)c(C)o1.
What is the InChIKey of N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is SOOAPPLTUQXIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-10-9-12(11(2)24-10)15(21)19-18-14(20)6-3-7-17-16(22)13-5-4-8-23-13/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,22)(H,18,20)(H,19,21).
What are the key properties of N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]furan-2-carboxamide?
N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 333.34 g/mol, XLogP of 1.46, 6 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]furan-2-carboxamide is sourced from PubChem (CID 34282135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).