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

C21H21N3O — CID 6321738

IUPAC2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide
SMILESCC/C(=N/NC(=O)CNc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C21H21N3O/c1-2-20(17-9-4-3-5-10-17)23-24-21(25)15-22-19-13-12-16-8-6-7-11-18(16)14-19/h3-14,22H,2,15H2,1H3,(H,24,25)/b23-20-
InChIKeyGKUBTHWJCDDGDZ-ATJXCDBQSA-N
MW331.42 g/mol
LogP4.18
Rot. Bonds6

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

2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide (PubChem CID 6321738) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide.

Molecular Properties

Compound Name2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide
PubChem CID6321738
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide
SMILESCC/C(=N/NC(=O)CNc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C21H21N3O/c1-2-20(17-9-4-3-5-10-17)23-24-21(25)15-22-19-13-12-16-8-6-7-11-18(16)14-19/h3-14,22H,2,15H2,1H3,(H,24,25)/b23-20-
InChIKeyGKUBTHWJCDDGDZ-ATJXCDBQSA-N
XLogP4.18
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.18
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-phenylbutan-2-ylideneamino]acetamide
CID 6529279
2-naphthalen-2-yloxy-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6534039
2-(naphthalen-1-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6322259
2-(naphthalen-2-ylamino)-N-(1-phenylpropyl)acetamide
CID 54839833
2-(naphthalen-2-ylamino)-N-propylacetamide
CID 43400801
2-(naphthalen-2-ylamino)-N-propan-2-ylacetamide
CID 43398270
2-phenyl-N-(1-phenylpropylideneamino)acetamide
CID 689855
2-(4-methylanilino)-N-[(Z)-(3-oxo-1,3-diphenylpropylidene)amino]acetamide
CID 46177792
4-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 4623297
2-anilino-N-[(Z)-butan-2-ylideneamino]acetamide
CID 7933305
N-(1-phenylpropylideneamino)pentanamide
CID 4996868
[2-ethoxy-4-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6142763

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide?
The IUPAC name of 2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide (CID 6321738) is 2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide.
What is the SMILES notation for 2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide?
The canonical SMILES for 2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide is CC/C(=N/NC(=O)CNc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of 2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide?
The InChIKey is GKUBTHWJCDDGDZ-ATJXCDBQSA-N. The full InChI is InChI=1S/C21H21N3O/c1-2-20(17-9-4-3-5-10-17)23-24-21(25)15-22-19-13-12-16-8-6-7-11-18(16)14-19/h3-14,22H,2,15H2,1H3,(H,24,25)/b23-20-.
What are the key properties of 2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide?
2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide has a molecular weight of 331.42 g/mol, XLogP of 4.18, 6 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-phenylpropylideneamino]acetamide is sourced from PubChem (CID 6321738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).