2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide

C22H23N3O — CID 6529279

IUPAC2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide
SMILESCC/C(Cc1ccccc1)=N/NC(=O)CNc1ccc2ccccc2c1
InChIInChI=1S/C22H23N3O/c1-2-20(14-17-8-4-3-5-9-17)24-25-22(26)16-23-21-13-12-18-10-6-7-11-19(18)15-21/h3-13,15,23H,2,14,16H2,1H3,(H,25,26)/b24-20-
InChIKeyMQVDVRXMYRJGBB-GFMRDNFCSA-N
MW345.45 g/mol
LogP4.38
Rot. Bonds7

About 2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide

2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide (PubChem CID 6529279) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide.

Molecular Properties

Compound Name2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide
PubChem CID6529279
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide
SMILESCC/C(Cc1ccccc1)=N/NC(=O)CNc1ccc2ccccc2c1
InChIInChI=1S/C22H23N3O/c1-2-20(14-17-8-4-3-5-9-17)24-25-22(26)16-23-21-13-12-18-10-6-7-11-19(18)15-21/h3-13,15,23H,2,14,16H2,1H3,(H,25,26)/b24-20-
InChIKeyMQVDVRXMYRJGBB-GFMRDNFCSA-N
XLogP4.38
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6321738
2-(naphthalen-2-ylamino)-N-(1-phenylbutan-2-ylideneamino)propanamide
CID 4274264
3-phenyl-N-[(E)-1-phenylbutan-2-ylideneamino]propanamide
CID 6074409
N-(4-methylphenyl)-N'-[(Z)-1-phenylbutan-2-ylideneamino]butanediamide
CID 6371689
2-(naphthalen-2-ylamino)-N-(2-phenylethyl)acetamide
CID 26417168
2-(naphthalen-2-ylamino)-N-propylacetamide
CID 43400801
2-(naphthalen-2-ylamino)-N-propan-2-ylacetamide
CID 43398270
2-(naphthalen-2-ylamino)-N-(1-phenylpropyl)acetamide
CID 54839833
N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 71066400
N'-naphthalen-2-yl-2-phenylacetohydrazide
CID 2172648
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 1268496
2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide
CID 6147863

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide?
The IUPAC name of 2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide (CID 6529279) is 2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide.
What is the SMILES notation for 2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide?
The canonical SMILES for 2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide is CC/C(Cc1ccccc1)=N/NC(=O)CNc1ccc2ccccc2c1.
What is the InChIKey of 2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide?
The InChIKey is MQVDVRXMYRJGBB-GFMRDNFCSA-N. The full InChI is InChI=1S/C22H23N3O/c1-2-20(14-17-8-4-3-5-9-17)24-25-22(26)16-23-21-13-12-18-10-6-7-11-19(18)15-21/h3-13,15,23H,2,14,16H2,1H3,(H,25,26)/b24-20-.
What are the key properties of 2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide?
2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide has a molecular weight of 345.45 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylbutan-2-ylideneamino]acetamide is sourced from PubChem (CID 6529279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).