(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-N'-phenylbutanehydrazide

C22H23N3O2 — CID 139178452

IUPAC(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-N'-phenylbutanehydrazide
SMILESCC(C)[C@H](/N=C/c1c(O)ccc2ccccc12)C(=O)NNc1ccccc1
InChIInChI=1S/C22H23N3O2/c1-15(2)21(22(27)25-24-17-9-4-3-5-10-17)23-14-19-18-11-7-6-8-16(18)12-13-20(19)26/h3-15,21,24,26H,1-2H3,(H,25,27)/b23-14+/t21-/m0/s1
InChIKeyZPAFKNXCHDHCLG-VSIOZEBNSA-N
MW361.45 g/mol
LogP4.13
Rot. Bonds6

About (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-N'-phenylbutanehydrazide

(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-N'-phenylbutanehydrazide (PubChem CID 139178452) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-N'-phenylbutanehydrazide.

Molecular Properties

Compound Name(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-N'-phenylbutanehydrazide
PubChem CID139178452
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-N'-phenylbutanehydrazide
SMILESCC(C)[C@H](/N=C/c1c(O)ccc2ccccc12)C(=O)NNc1ccccc1
InChIInChI=1S/C22H23N3O2/c1-15(2)21(22(27)25-24-17-9-4-3-5-10-17)23-14-19-18-11-7-6-8-16(18)12-13-20(19)26/h3-15,21,24,26H,1-2H3,(H,25,27)/b23-14+/t21-/m0/s1
InChIKeyZPAFKNXCHDHCLG-VSIOZEBNSA-N
XLogP4.13
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3,3-dimethylbutanoic acid
CID 135445295
1-(propan-2-yliminomethyl)naphthalen-2-ol
CID 4779256
methyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate
CID 135855183
bis((2S,3S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methylpentanoic acid);oxo(oxovanadiooxy)vanadium
CID 135499712
1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol
CID 3576819
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetic acid
CID 136680557
1-(benzhydryliminomethyl)naphthalen-2-ol
CID 135592591
(2S)-3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoic acid;methanol;oxovanadium
CID 135497072
(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylsulfanylpropanamide
CID 136754632
(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 136720648
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide
CID 135679666
(2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylpentanamide
CID 135516858

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-N'-phenylbutanehydrazide?
The IUPAC name of (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-N'-phenylbutanehydrazide (CID 139178452) is (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-N'-phenylbutanehydrazide.
What is the SMILES notation for (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-N'-phenylbutanehydrazide?
The canonical SMILES for (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-N'-phenylbutanehydrazide is CC(C)[C@H](/N=C/c1c(O)ccc2ccccc12)C(=O)NNc1ccccc1.
What is the InChIKey of (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-N'-phenylbutanehydrazide?
The InChIKey is ZPAFKNXCHDHCLG-VSIOZEBNSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15(2)21(22(27)25-24-17-9-4-3-5-10-17)23-14-19-18-11-7-6-8-16(18)12-13-20(19)26/h3-15,21,24,26H,1-2H3,(H,25,27)/b23-14+/t21-/m0/s1.
What are the key properties of (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-N'-phenylbutanehydrazide?
(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-N'-phenylbutanehydrazide has a molecular weight of 361.45 g/mol, XLogP of 4.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-N'-phenylbutanehydrazide is sourced from PubChem (CID 139178452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).