N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-naphthalen-1-ylacetamide

C24H29N3O — CID 18564899

IUPACN-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-naphthalen-1-ylacetamide
SMILESCN(C)c1ccc(C(CNC(=O)Cc2cccc3ccccc23)N(C)C)cc1
InChIInChI=1S/C24H29N3O/c1-26(2)21-14-12-19(13-15-21)23(27(3)4)17-25-24(28)16-20-10-7-9-18-8-5-6-11-22(18)20/h5-15,23H,16-17H2,1-4H3,(H,25,28)
InChIKeyQVKPANHKYGHYNJ-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.87
Rot. Bonds7

About N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-naphthalen-1-ylacetamide

N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-naphthalen-1-ylacetamide (PubChem CID 18564899) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-naphthalen-1-ylacetamide
PubChem CID18564899
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-naphthalen-1-ylacetamide
SMILESCN(C)c1ccc(C(CNC(=O)Cc2cccc3ccccc23)N(C)C)cc1
InChIInChI=1S/C24H29N3O/c1-26(2)21-14-12-19(13-15-21)23(27(3)4)17-25-24(28)16-20-10-7-9-18-8-5-6-11-22(18)20/h5-15,23H,16-17H2,1-4H3,(H,25,28)
InChIKeyQVKPANHKYGHYNJ-UHFFFAOYSA-N
XLogP3.87
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-naphthalen-1-ylacetamide (CID 18564899) is N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-naphthalen-1-ylacetamide is CN(C)c1ccc(C(CNC(=O)Cc2cccc3ccccc23)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is QVKPANHKYGHYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-26(2)21-14-12-19(13-15-21)23(27(3)4)17-25-24(28)16-20-10-7-9-18-8-5-6-11-22(18)20/h5-15,23H,16-17H2,1-4H3,(H,25,28).
What are the key properties of N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-naphthalen-1-ylacetamide?
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 375.52 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 18564899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).