2-naphthalen-1-yl-N-(3-phenylpropylideneamino)acetamide

C21H20N2O — CID 5127526

IUPAC2-naphthalen-1-yl-N-(3-phenylpropylideneamino)acetamide
SMILESO=C(Cc1cccc2ccccc12)NN=CCCc1ccccc1
InChIInChI=1S/C21H20N2O/c24-21(23-22-15-7-10-17-8-2-1-3-9-17)16-19-13-6-12-18-11-4-5-14-20(18)19/h1-6,8-9,11-15H,7,10,16H2,(H,23,24)
InChIKeyZUXRFFNYBPGUGY-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.12
Rot. Bonds6

About 2-naphthalen-1-yl-N-(3-phenylpropylideneamino)acetamide

2-naphthalen-1-yl-N-(3-phenylpropylideneamino)acetamide (PubChem CID 5127526) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-(3-phenylpropylideneamino)acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-(3-phenylpropylideneamino)acetamide
PubChem CID5127526
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name2-naphthalen-1-yl-N-(3-phenylpropylideneamino)acetamide
SMILESO=C(Cc1cccc2ccccc12)NN=CCCc1ccccc1
InChIInChI=1S/C21H20N2O/c24-21(23-22-15-7-10-17-8-2-1-3-9-17)16-19-13-6-12-18-11-4-5-14-20(18)19/h1-6,8-9,11-15H,7,10,16H2,(H,23,24)
InChIKeyZUXRFFNYBPGUGY-UHFFFAOYSA-N
XLogP4.12
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-1-yl-N-(3-phenylpropyl)acetamide
CID 4807047
2-cyano-N-(3-phenylpropylideneamino)acetamide
CID 5104820
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-phenylacetamide
CID 5407611
N-(3-phenylpropylideneamino)dodecanamide
CID 3728089
N'-(3-phenylpropylideneamino)oxamide
CID 4674915
3-hydroxy-N-[(Z)-3-phenylpropylideneamino]naphthalene-2-carboxamide
CID 6263341
2-(4-methoxyanilino)-N-(3-phenylpropylideneamino)acetamide
CID 4922169
N-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5340905
N-(4-butylphenyl)-2-naphthalen-1-ylacetamide
CID 7314094
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 6163037
4-amino-N-[(Z)-3-phenylpropylideneamino]benzamide
CID 9070990
2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide
CID 6167481

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-(3-phenylpropylideneamino)acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-(3-phenylpropylideneamino)acetamide (CID 5127526) is 2-naphthalen-1-yl-N-(3-phenylpropylideneamino)acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-(3-phenylpropylideneamino)acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-(3-phenylpropylideneamino)acetamide is O=C(Cc1cccc2ccccc12)NN=CCCc1ccccc1.
What is the InChIKey of 2-naphthalen-1-yl-N-(3-phenylpropylideneamino)acetamide?
The InChIKey is ZUXRFFNYBPGUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c24-21(23-22-15-7-10-17-8-2-1-3-9-17)16-19-13-6-12-18-11-4-5-14-20(18)19/h1-6,8-9,11-15H,7,10,16H2,(H,23,24).
What are the key properties of 2-naphthalen-1-yl-N-(3-phenylpropylideneamino)acetamide?
2-naphthalen-1-yl-N-(3-phenylpropylideneamino)acetamide has a molecular weight of 316.40 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-(3-phenylpropylideneamino)acetamide is sourced from PubChem (CID 5127526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).