N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide

C21H21N3O2 — CID 102603460

IUPACN'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2cccc3ccccc23)c(C)c1
InChIInChI=1S/C21H21N3O2/c1-14-10-11-19(15(2)12-14)22-13-20(25)23-24-21(26)18-9-5-7-16-6-3-4-8-17(16)18/h3-12,22H,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyOQHAMUPKHMYUNW-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.33
Rot. Bonds4

About N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide

N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide (PubChem CID 102603460) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide
PubChem CID102603460
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2cccc3ccccc23)c(C)c1
InChIInChI=1S/C21H21N3O2/c1-14-10-11-19(15(2)12-14)22-13-20(25)23-24-21(26)18-9-5-7-16-6-3-4-8-17(16)18/h3-12,22H,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyOQHAMUPKHMYUNW-UHFFFAOYSA-N
XLogP3.33
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.33
H-Bond Donors ≤ 53
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-(2,4-dimethylanilino)acetyl]-2-methylquinoline-4-carbohydrazide
CID 102603450
N-[2-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 9432088
N'-[2-(2,4-dimethylanilino)acetyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carbohydrazide
CID 55495208
2-(2,4-dimethylanilino)-N'-[2-(9-oxoacridin-10-yl)acetyl]acetohydrazide
CID 55513954
N'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide
CID 51429705
N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 1278696
ethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid
CID 143144416
N-benzyl-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 9105774
N-[3-[[[2-(2,4-dimethylanilino)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 55348082
N-(2-amino-4-methylphenyl)naphthalene-1-carboxamide
CID 43259068
(E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(2-methylphenyl)prop-2-enehydrazide
CID 9432314
2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
CID 7923263

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide?
The IUPAC name of N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide (CID 102603460) is N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide.
What is the SMILES notation for N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide?
The canonical SMILES for N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide is Cc1ccc(NCC(=O)NNC(=O)c2cccc3ccccc23)c(C)c1.
What is the InChIKey of N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide?
The InChIKey is OQHAMUPKHMYUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-10-11-19(15(2)12-14)22-13-20(25)23-24-21(26)18-9-5-7-16-6-3-4-8-17(16)18/h3-12,22H,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide?
N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide has a molecular weight of 347.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide is sourced from PubChem (CID 102603460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).