N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-3,4-diethoxybenzamide

C20H25N3O6 — CID 4787471

IUPACN-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NNC(=O)c2cc(C)oc2C)cc1OCC
InChIInChI=1S/C20H25N3O6/c1-5-27-16-8-7-14(10-17(16)28-6-2)19(25)21-11-18(24)22-23-20(26)15-9-12(3)29-13(15)4/h7-10H,5-6,11H2,1-4H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyQOTIYZSFAJJSLC-UHFFFAOYSA-N
MW403.44 g/mol
LogP1.88
Rot. Bonds8

About N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-3,4-diethoxybenzamide

N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-3,4-diethoxybenzamide (PubChem CID 4787471) has the molecular formula C20H25N3O6 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-3,4-diethoxybenzamide
PubChem CID4787471
Molecular FormulaC20H25N3O6
Molecular Weight403.44 g/mol
Exact Mass403.17
IUPAC NameN-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NNC(=O)c2cc(C)oc2C)cc1OCC
InChIInChI=1S/C20H25N3O6/c1-5-27-16-8-7-14(10-17(16)28-6-2)19(25)21-11-18(24)22-23-20(26)15-9-12(3)29-13(15)4/h7-10H,5-6,11H2,1-4H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyQOTIYZSFAJJSLC-UHFFFAOYSA-N
XLogP1.88
TPSA118.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 51.88
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-(2-Furylmethylene)hydrazino)-2-oxoethyl)-3,4-dimethoxybenzamide
CID 9603365
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 4788144
N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 6895803
N-[1-Furan-2-yl-eth-(E)-ylidene-hydrazinocarbonylmethyl]-3,4-dimethoxy-benzamide
CID 9626106
3,4-dimethoxy-N-(2-{2-[(5-methyl-2-furyl)methylene]hydrazino}-2-oxoethyl)benzamide
CID 9691124
2-[2-(3,4-dimethoxybenzoyl)hydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 3422545
N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 4881633
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methoxy-4-propoxybenzamide
CID 4882516
N-(2-{2-[3-(2-furyl)-2-methyl-2-propenylidene]hydrazino}-2-oxoethyl)-3,4-dimethoxybenzamide
CID 9725821
3,4-diethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
CID 24683602
3,4-Diethoxy-N-furan-2-ylmethyl-benzamide
CID 783622
4-Ethoxy-N-furan-2-ylmethyl-3-methoxy-benzamide
CID 1079830

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-3,4-diethoxybenzamide (CID 4787471) is N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NCC(=O)NNC(=O)c2cc(C)oc2C)cc1OCC.
What is the InChIKey of N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-3,4-diethoxybenzamide?
The InChIKey is QOTIYZSFAJJSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6/c1-5-27-16-8-7-14(10-17(16)28-6-2)19(25)21-11-18(24)22-23-20(26)15-9-12(3)29-13(15)4/h7-10H,5-6,11H2,1-4H3,(H,21,25)(H,22,24)(H,23,26).
What are the key properties of N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-3,4-diethoxybenzamide?
N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-3,4-diethoxybenzamide has a molecular weight of 403.44 g/mol, XLogP of 1.88, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 4787471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).