N-[[4-(dimethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)-N-pyridin-2-ylacetamide

C24H27N3O2 — CID 35573668

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)-N-pyridin-2-ylacetamide
SMILESCc1cccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)c1C
InChIInChI=1S/C24H27N3O2/c1-18-8-7-9-22(19(18)2)29-17-24(28)27(23-10-5-6-15-25-23)16-20-11-13-21(14-12-20)26(3)4/h5-15H,16-17H2,1-4H3
InChIKeySNLVPHLHGKBTNH-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.38
Rot. Bonds7

About N-[[4-(dimethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)-N-pyridin-2-ylacetamide

N-[[4-(dimethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)-N-pyridin-2-ylacetamide (PubChem CID 35573668) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)-N-pyridin-2-ylacetamide
PubChem CID35573668
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)-N-pyridin-2-ylacetamide
SMILESCc1cccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)c1C
InChIInChI=1S/C24H27N3O2/c1-18-8-7-9-22(19(18)2)29-17-24(28)27(23-10-5-6-15-25-23)16-20-11-13-21(14-12-20)26(3)4/h5-15H,16-17H2,1-4H3
InChIKeySNLVPHLHGKBTNH-UHFFFAOYSA-N
XLogP4.38
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-4-fluoro-N-pyridin-2-ylbenzamide
CID 35573441
N-benzyl-2-methoxy-N-pyridin-2-ylacetamide
CID 798237
N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylnaphthalene-1-carboxamide
CID 35574860
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methylphenoxy)-N-pyridin-2-ylacetamide
CID 35575456
N-[[4-(dimethylamino)phenyl]methyl]-4-methoxy-N-pyridin-2-ylbenzamide
CID 35573662
4-tert-butyl-N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylbenzamide
CID 35573650
2-(2-chlorophenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide
CID 35577428
2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide
CID 35578649
2-(4-bromophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-pyridin-2-ylacetamide
CID 17011724
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylpropanamide
CID 35672557
3-ethoxy-N-[(4-ethylphenyl)methyl]-N-pyridin-2-ylbenzamide
CID 17012477
2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]benzoate
CID 2311637

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)-N-pyridin-2-ylacetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)-N-pyridin-2-ylacetamide (CID 35573668) is N-[[4-(dimethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)-N-pyridin-2-ylacetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)-N-pyridin-2-ylacetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)-N-pyridin-2-ylacetamide is Cc1cccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)c1C.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)-N-pyridin-2-ylacetamide?
The InChIKey is SNLVPHLHGKBTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-18-8-7-9-22(19(18)2)29-17-24(28)27(23-10-5-6-15-25-23)16-20-11-13-21(14-12-20)26(3)4/h5-15H,16-17H2,1-4H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)-N-pyridin-2-ylacetamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)-N-pyridin-2-ylacetamide has a molecular weight of 389.50 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 35573668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).