N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C19H23N3O3 — CID 46423856

IUPACN-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCC(C)CC(=O)NNC(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C19H23N3O3/c1-13(2)10-18(24)21-22-19(25)12-20-17(23)11-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13H,10-12H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyVPBMEVBVROUAMQ-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.69
Rot. Bonds6

About N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 46423856) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID46423856
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCC(C)CC(=O)NNC(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C19H23N3O3/c1-13(2)10-18(24)21-22-19(25)12-20-17(23)11-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13H,10-12H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyVPBMEVBVROUAMQ-UHFFFAOYSA-N
XLogP1.69
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.69
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-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
N'-(3-methylbutanoyl)naphthalene-1-carbohydrazide
CID 18121246
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119497414
2-naphthalen-1-yl-N-[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]ethyl]acetamide
CID 7677981
N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 120831392
N-(2,2-dimethoxyethyl)-2-naphthalen-1-ylacetamide
CID 60653057
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
methyl (2S)-3-hydroxy-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propanoate
CID 9277768
N-(2-amino-2-oxoethyl)-2-naphthalen-1-ylacetamide
CID 9294847
2-naphthalen-1-yl-N-[2-oxo-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]acetamide
CID 25356977

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 46423856) is N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide is CC(C)CC(=O)NNC(=O)CNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is VPBMEVBVROUAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(2)10-18(24)21-22-19(25)12-20-17(23)11-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13H,10-12H2,1-2H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 341.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 46423856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).