N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide

C16H17N3O6 — CID 7979811

IUPACN-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)CNC(=O)c2ccco2)c1
InChIInChI=1S/C16H17N3O6/c1-23-11-6-10(7-12(8-11)24-2)15(21)19-18-14(20)9-17-16(22)13-4-3-5-25-13/h3-8H,9H2,1-2H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyNBMWYQZNHKLPNP-UHFFFAOYSA-N
MW347.33 g/mol
LogP0.49
Rot. Bonds6

About N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide

N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 7979811) has the molecular formula C16H17N3O6 and a molecular weight of 347.33 g/mol. Its IUPAC name is N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID7979811
Molecular FormulaC16H17N3O6
Molecular Weight347.33 g/mol
Exact Mass347.11
IUPAC NameN-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)CNC(=O)c2ccco2)c1
InChIInChI=1S/C16H17N3O6/c1-23-11-6-10(7-12(8-11)24-2)15(21)19-18-14(20)9-17-16(22)13-4-3-5-25-13/h3-8H,9H2,1-2H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyNBMWYQZNHKLPNP-UHFFFAOYSA-N
XLogP0.49
TPSA118.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 9496139
N-[2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 18159228
N-[2-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 27166329
N-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 17424629
N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 18164708
N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-methoxybenzamide
CID 3273418
N-[2-[2-(3-methyl-1-phenylbut-1-enyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 3679950
N-[2-[2-[(2R)-2-(3-bromophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 9370870
N-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 8901422
N-[2-[2-[[(2S)-1-methoxypropan-2-yl]carbamothioyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 9478105
N-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 7977704
benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 24643690

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide (CID 7979811) is N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide is COc1cc(OC)cc(C(=O)NNC(=O)CNC(=O)c2ccco2)c1.
What is the InChIKey of N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is NBMWYQZNHKLPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O6/c1-23-11-6-10(7-12(8-11)24-2)15(21)19-18-14(20)9-17-16(22)13-4-3-5-25-13/h3-8H,9H2,1-2H3,(H,17,22)(H,18,20)(H,19,21).
What are the key properties of N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 347.33 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 7979811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).