N'-[3-(dimethylamino)benzoyl]-2,5-dimethylfuran-3-carbohydrazide

C16H19N3O3 — CID 7759846

IUPACN'-[3-(dimethylamino)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)c(C)o1
InChIInChI=1S/C16H19N3O3/c1-10-8-14(11(2)22-10)16(21)18-17-15(20)12-6-5-7-13(9-12)19(3)4/h5-9H,1-4H3,(H,17,20)(H,18,21)
InChIKeySWXHUUQCGWRROL-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.04
Rot. Bonds3

About N'-[3-(dimethylamino)benzoyl]-2,5-dimethylfuran-3-carbohydrazide

N'-[3-(dimethylamino)benzoyl]-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 7759846) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N'-[3-(dimethylamino)benzoyl]-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(dimethylamino)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
PubChem CID7759846
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN'-[3-(dimethylamino)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)c(C)o1
InChIInChI=1S/C16H19N3O3/c1-10-8-14(11(2)22-10)16(21)18-17-15(20)12-6-5-7-13(9-12)19(3)4/h5-9H,1-4H3,(H,17,20)(H,18,21)
InChIKeySWXHUUQCGWRROL-UHFFFAOYSA-N
XLogP2.04
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dimethyl-3-furancarboxanilide
CID 34281
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-methylfuran-3-carboxamide
CID 5342258
N'-{3-[4-(dimethylamino)phenyl]-2-propenylidene}-2-methyl-3-furohydrazide
CID 9607499
2,5-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylfuran-3-carboxamide
CID 25163737
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide
CID 1245155
3-{3-[(2,5-Dimethyl-3-furoyl)amino]phenyl}acrylic acid
CID 680848
(2,5-Dimethylfuran-3-yl)(4-phenylpiperazin-1-yl)methanone
CID 2366104
4-(2,5-Dimethyl-3-furoyl)-2-methyl-1-(3-methylphenyl)piperazine
CID 3418820
N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,5-dimethylfuran-3-carbohydrazide
CID 4880459
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-methylfuran-3-carbohydrazide
CID 6868898
2,5-dimethyl-N'-(4-methyl-3-nitrobenzoyl)furan-3-carbohydrazide
CID 5695943
N-[4-(dimethylamino)phenyl]-2-methyl-5-phenyl-3-furamide
CID 748403

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)benzoyl]-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-[3-(dimethylamino)benzoyl]-2,5-dimethylfuran-3-carbohydrazide (CID 7759846) is N'-[3-(dimethylamino)benzoyl]-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[3-(dimethylamino)benzoyl]-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-[3-(dimethylamino)benzoyl]-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)c(C)o1.
What is the InChIKey of N'-[3-(dimethylamino)benzoyl]-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is SWXHUUQCGWRROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-8-14(11(2)22-10)16(21)18-17-15(20)12-6-5-7-13(9-12)19(3)4/h5-9H,1-4H3,(H,17,20)(H,18,21).
What are the key properties of N'-[3-(dimethylamino)benzoyl]-2,5-dimethylfuran-3-carbohydrazide?
N'-[3-(dimethylamino)benzoyl]-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 301.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)benzoyl]-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 7759846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).