2,5-dimethyl-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]furan-3-carbohydrazide

C19H22N2O3 — CID 39708207

IUPAC2,5-dimethyl-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)Cc2ccc3c(c2)CCCC3)c(C)o1
InChIInChI=1S/C19H22N2O3/c1-12-9-17(13(2)24-12)19(23)21-20-18(22)11-14-7-8-15-5-3-4-6-16(15)10-14/h7-10H,3-6,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXHEXQFJMOMDMDS-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.78
Rot. Bonds3

About 2,5-dimethyl-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]furan-3-carbohydrazide

2,5-dimethyl-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]furan-3-carbohydrazide (PubChem CID 39708207) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2,5-dimethyl-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]furan-3-carbohydrazide
PubChem CID39708207
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2,5-dimethyl-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)Cc2ccc3c(c2)CCCC3)c(C)o1
InChIInChI=1S/C19H22N2O3/c1-12-9-17(13(2)24-12)19(23)21-20-18(22)11-14-7-8-15-5-3-4-6-16(15)10-14/h7-10H,3-6,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXHEXQFJMOMDMDS-UHFFFAOYSA-N
XLogP2.78
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 7808964
2,5-dimethyl-N'-[2-(2-oxopiperidin-1-yl)acetyl]furan-3-carbohydrazide
CID 78866913
2-(4-methoxyphenyl)-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]acetohydrazide
CID 18284769
N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide
CID 47102396
2,5-dimethyl-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)furan-3-carbohydrazide
CID 7808974
N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1-methylindole-3-carbohydrazide
CID 40717487
2,5-dimethyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]furan-3-carbohydrazide
CID 9084950
N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 8622110
[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]thiourea
CID 87566146
2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylfuran-3-yl)ethanone
CID 113453266
2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide
CID 9468106
N'-[2-(4-iodophenoxy)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 55332060

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]furan-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]furan-3-carbohydrazide (CID 39708207) is 2,5-dimethyl-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]furan-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]furan-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]furan-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)Cc2ccc3c(c2)CCCC3)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]furan-3-carbohydrazide?
The InChIKey is XHEXQFJMOMDMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12-9-17(13(2)24-12)19(23)21-20-18(22)11-14-7-8-15-5-3-4-6-16(15)10-14/h7-10H,3-6,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2,5-dimethyl-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]furan-3-carbohydrazide?
2,5-dimethyl-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]furan-3-carbohydrazide has a molecular weight of 326.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]furan-3-carbohydrazide is sourced from PubChem (CID 39708207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).