N-[1-(4-methylphenyl)propylideneamino]-2-naphthalen-1-ylacetamide

C22H22N2O — CID 4153333

IUPACN-[1-(4-methylphenyl)propylideneamino]-2-naphthalen-1-ylacetamide
SMILESCCC(=NNC(=O)Cc1cccc2ccccc12)c1ccc(C)cc1
InChIInChI=1S/C22H22N2O/c1-3-21(18-13-11-16(2)12-14-18)23-24-22(25)15-19-9-6-8-17-7-4-5-10-20(17)19/h4-14H,3,15H2,1-2H3,(H,24,25)
InChIKeyDDYIPBIIMCJMLX-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.62
Rot. Bonds5

About N-[1-(4-methylphenyl)propylideneamino]-2-naphthalen-1-ylacetamide

N-[1-(4-methylphenyl)propylideneamino]-2-naphthalen-1-ylacetamide (PubChem CID 4153333) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propylideneamino]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propylideneamino]-2-naphthalen-1-ylacetamide
PubChem CID4153333
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC NameN-[1-(4-methylphenyl)propylideneamino]-2-naphthalen-1-ylacetamide
SMILESCCC(=NNC(=O)Cc1cccc2ccccc12)c1ccc(C)cc1
InChIInChI=1S/C22H22N2O/c1-3-21(18-13-11-16(2)12-14-18)23-24-22(25)15-19-9-6-8-17-7-4-5-10-20(17)19/h4-14H,3,15H2,1-2H3,(H,24,25)
InChIKeyDDYIPBIIMCJMLX-UHFFFAOYSA-N
XLogP4.62
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.62
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

N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide
CID 135588935
2-(4-bromonaphthalen-1-yl)-N-[1-(4-phenylphenyl)propylideneamino]acetamide
CID 171145744
N-[1-(2,4-dichlorophenyl)propylideneamino]-2-naphthalen-1-ylacetamide
CID 4133962
N-[(Z)-1-(4-methylphenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463729
ethyl 3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanoate
CID 3402197
2-phenyl-N-(1-phenylpropylideneamino)acetamide
CID 689855
N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide
CID 3593983
N-(hexan-2-ylideneamino)-2-naphthalen-1-ylacetamide
CID 4066378
N-[(E)-1-(4-methylphenyl)propylideneamino]decanamide
CID 6262832
2-(naphthalen-1-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6322259
N'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide
CID 6380385
N-[1-(4-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide
CID 903928

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propylideneamino]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[1-(4-methylphenyl)propylideneamino]-2-naphthalen-1-ylacetamide (CID 4153333) is N-[1-(4-methylphenyl)propylideneamino]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propylideneamino]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[1-(4-methylphenyl)propylideneamino]-2-naphthalen-1-ylacetamide is CCC(=NNC(=O)Cc1cccc2ccccc12)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propylideneamino]-2-naphthalen-1-ylacetamide?
The InChIKey is DDYIPBIIMCJMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-3-21(18-13-11-16(2)12-14-18)23-24-22(25)15-19-9-6-8-17-7-4-5-10-20(17)19/h4-14H,3,15H2,1-2H3,(H,24,25).
What are the key properties of N-[1-(4-methylphenyl)propylideneamino]-2-naphthalen-1-ylacetamide?
N-[1-(4-methylphenyl)propylideneamino]-2-naphthalen-1-ylacetamide has a molecular weight of 330.43 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propylideneamino]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 4153333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).