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

C21H21N3O — CID 6322259

IUPAC2-(naphthalen-1-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide
SMILESCC/C(=N/NC(=O)CNc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C21H21N3O/c1-2-19(17-10-4-3-5-11-17)23-24-21(25)15-22-20-14-8-12-16-9-6-7-13-18(16)20/h3-14,22H,2,15H2,1H3,(H,24,25)/b23-19-
InChIKeyJUWUDMCVCAFDEN-NMWGTECJSA-N
MW331.42 g/mol
LogP4.18
Rot. Bonds6

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

2-(naphthalen-1-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide (PubChem CID 6322259) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(naphthalen-1-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide.

Molecular Properties

Compound Name2-(naphthalen-1-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide
PubChem CID6322259
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name2-(naphthalen-1-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide
SMILESCC/C(=N/NC(=O)CNc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C21H21N3O/c1-2-19(17-10-4-3-5-11-17)23-24-21(25)15-22-20-14-8-12-16-9-6-7-13-18(16)20/h3-14,22H,2,15H2,1H3,(H,24,25)/b23-19-
InChIKeyJUWUDMCVCAFDEN-NMWGTECJSA-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-phenylpropylideneamino]acetamide
CID 6321738
N-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 5099377
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 6083520
N-(1-phenylpropylideneamino)pentanamide
CID 4996868
2-phenyl-N-(1-phenylpropylideneamino)acetamide
CID 689855
N-(2-methoxyphenyl)-N'-[(Z)-1-phenylpropylideneamino]butanediamide
CID 6034251
3-phenyl-N-(1-phenylpropylideneamino)propanamide
CID 5163167
3-phenyl-N-[(Z)-1-phenylpropylideneamino]propanamide
CID 6288373
2-(naphthalen-1-ylamino)-N-phenylacetamide
CID 9082358
N-[1-(4-methylphenyl)propylideneamino]-2-naphthalen-1-ylacetamide
CID 4153333
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide
CID 135588935
N-[1-(5-bromothiophen-2-yl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 1095079

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide?
The IUPAC name of 2-(naphthalen-1-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide (CID 6322259) is 2-(naphthalen-1-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide.
What is the SMILES notation for 2-(naphthalen-1-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide?
The canonical SMILES for 2-(naphthalen-1-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide is CC/C(=N/NC(=O)CNc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 2-(naphthalen-1-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide?
The InChIKey is JUWUDMCVCAFDEN-NMWGTECJSA-N. The full InChI is InChI=1S/C21H21N3O/c1-2-19(17-10-4-3-5-11-17)23-24-21(25)15-22-20-14-8-12-16-9-6-7-13-18(16)20/h3-14,22H,2,15H2,1H3,(H,24,25)/b23-19-.
What are the key properties of 2-(naphthalen-1-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide?
2-(naphthalen-1-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-1-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide is sourced from PubChem (CID 6322259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).