N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2,6-dimethylanilino)propanamide

C21H25N3O — CID 3096488

IUPACN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2,6-dimethylanilino)propanamide
SMILESCc1cccc(C)c1NC(C)C(=O)NN=C1CCCc2ccccc21
InChIInChI=1S/C21H25N3O/c1-14-8-6-9-15(2)20(14)22-16(3)21(25)24-23-19-13-7-11-17-10-4-5-12-18(17)19/h4-6,8-10,12,16,22H,7,11,13H2,1-3H3,(H,24,25)
InChIKeyULOPQKUSXSBRLL-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.96
Rot. Bonds4

About N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2,6-dimethylanilino)propanamide

N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2,6-dimethylanilino)propanamide (PubChem CID 3096488) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2,6-dimethylanilino)propanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2,6-dimethylanilino)propanamide
PubChem CID3096488
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2,6-dimethylanilino)propanamide
SMILESCc1cccc(C)c1NC(C)C(=O)NN=C1CCCc2ccccc21
InChIInChI=1S/C21H25N3O/c1-14-8-6-9-15(2)20(14)22-16(3)21(25)24-23-19-13-7-11-17-10-4-5-12-18(17)19/h4-6,8-10,12,16,22H,7,11,13H2,1-3H3,(H,24,25)
InChIKeyULOPQKUSXSBRLL-UHFFFAOYSA-N
XLogP3.96
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.96
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

N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxy-2-phenylacetamide
CID 2851357
2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide
CID 3419131
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide
CID 4999116
1-(2-methylphenyl)-3-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]thiourea
CID 7933475
[(E)-(5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
CID 6253555
1-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-(2,6-dimethylphenyl)thiourea
CID 7930495
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-phenylacetamide
CID 5395791
2,4-dimethyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide
CID 6525291
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-propan-2-ylthiophene-3-carboxamide
CID 27493701
2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide
CID 6536301
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]hexanamide
CID 6031534
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
CID 922588

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2,6-dimethylanilino)propanamide?
The IUPAC name of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2,6-dimethylanilino)propanamide (CID 3096488) is N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2,6-dimethylanilino)propanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2,6-dimethylanilino)propanamide?
The canonical SMILES for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2,6-dimethylanilino)propanamide is Cc1cccc(C)c1NC(C)C(=O)NN=C1CCCc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2,6-dimethylanilino)propanamide?
The InChIKey is ULOPQKUSXSBRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-14-8-6-9-15(2)20(14)22-16(3)21(25)24-23-19-13-7-11-17-10-4-5-12-18(17)19/h4-6,8-10,12,16,22H,7,11,13H2,1-3H3,(H,24,25).
What are the key properties of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2,6-dimethylanilino)propanamide?
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2,6-dimethylanilino)propanamide has a molecular weight of 335.45 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2,6-dimethylanilino)propanamide is sourced from PubChem (CID 3096488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).