N-[(2S)-3-methyl-1-(2-methyl-2-phenylhydrazinyl)-1-oxobutan-2-yl]-2-naphthalen-1-ylacetamide

C24H27N3O2 — CID 9479838

IUPACN-[(2S)-3-methyl-1-(2-methyl-2-phenylhydrazinyl)-1-oxobutan-2-yl]-2-naphthalen-1-ylacetamide
SMILESCC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NN(C)c1ccccc1
InChIInChI=1S/C24H27N3O2/c1-17(2)23(24(29)26-27(3)20-13-5-4-6-14-20)25-22(28)16-19-12-9-11-18-10-7-8-15-21(18)19/h4-15,17,23H,16H2,1-3H3,(H,25,28)(H,26,29)/t23-/m0/s1
InChIKeyWUNCWTDGZRQINI-QHCPKHFHSA-N
MW389.50 g/mol
LogP3.69
Rot. Bonds7

About N-[(2S)-3-methyl-1-(2-methyl-2-phenylhydrazinyl)-1-oxobutan-2-yl]-2-naphthalen-1-ylacetamide

N-[(2S)-3-methyl-1-(2-methyl-2-phenylhydrazinyl)-1-oxobutan-2-yl]-2-naphthalen-1-ylacetamide (PubChem CID 9479838) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-(2-methyl-2-phenylhydrazinyl)-1-oxobutan-2-yl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-(2-methyl-2-phenylhydrazinyl)-1-oxobutan-2-yl]-2-naphthalen-1-ylacetamide
PubChem CID9479838
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[(2S)-3-methyl-1-(2-methyl-2-phenylhydrazinyl)-1-oxobutan-2-yl]-2-naphthalen-1-ylacetamide
SMILESCC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NN(C)c1ccccc1
InChIInChI=1S/C24H27N3O2/c1-17(2)23(24(29)26-27(3)20-13-5-4-6-14-20)25-22(28)16-19-12-9-11-18-10-7-8-15-21(18)19/h4-15,17,23H,16H2,1-3H3,(H,25,28)(H,26,29)/t23-/m0/s1
InChIKeyWUNCWTDGZRQINI-QHCPKHFHSA-N
XLogP3.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.69
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

(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 2084038
2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid
CID 122366195
phenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
CID 9138862
(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)butanamide
CID 25354479
(2S)-N-(3,5-dimethylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 7611312
(2R)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 26002941
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
(2S)-N-(4-tert-butylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 7610874
N-[(2S)-1-(4-benzoylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-naphthalen-1-ylacetamide
CID 41235170
2-naphthalen-1-yl-N-[(1S)-1-phenylethyl]acetamide
CID 1225206
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
CID 7572911
3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-2-ylmethyl)butanamide
CID 17474218

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-(2-methyl-2-phenylhydrazinyl)-1-oxobutan-2-yl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(2S)-3-methyl-1-(2-methyl-2-phenylhydrazinyl)-1-oxobutan-2-yl]-2-naphthalen-1-ylacetamide (CID 9479838) is N-[(2S)-3-methyl-1-(2-methyl-2-phenylhydrazinyl)-1-oxobutan-2-yl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-(2-methyl-2-phenylhydrazinyl)-1-oxobutan-2-yl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(2S)-3-methyl-1-(2-methyl-2-phenylhydrazinyl)-1-oxobutan-2-yl]-2-naphthalen-1-ylacetamide is CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NN(C)c1ccccc1.
What is the InChIKey of N-[(2S)-3-methyl-1-(2-methyl-2-phenylhydrazinyl)-1-oxobutan-2-yl]-2-naphthalen-1-ylacetamide?
The InChIKey is WUNCWTDGZRQINI-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17(2)23(24(29)26-27(3)20-13-5-4-6-14-20)25-22(28)16-19-12-9-11-18-10-7-8-15-21(18)19/h4-15,17,23H,16H2,1-3H3,(H,25,28)(H,26,29)/t23-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-(2-methyl-2-phenylhydrazinyl)-1-oxobutan-2-yl]-2-naphthalen-1-ylacetamide?
N-[(2S)-3-methyl-1-(2-methyl-2-phenylhydrazinyl)-1-oxobutan-2-yl]-2-naphthalen-1-ylacetamide has a molecular weight of 389.50 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-(2-methyl-2-phenylhydrazinyl)-1-oxobutan-2-yl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 9479838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).