2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid

C20H25N3O5 — CID 134137520

IUPAC2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid
SMILESCN(Cc1cccc(-c2ccc(N(C)C)cc2)c1)C(=O)CN.O=C(O)C(=O)O
InChIInChI=1S/C18H23N3O.C2H2O4/c1-20(2)17-9-7-15(8-10-17)16-6-4-5-14(11-16)13-21(3)18(22)12-19;3-1(4)2(5)6/h4-11H,12-13,19H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyKALZVNWLWDJYSQ-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.49
Rot. Bonds5

About 2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid

2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid (PubChem CID 134137520) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid.

Molecular Properties

Compound Name2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid
PubChem CID134137520
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid
SMILESCN(Cc1cccc(-c2ccc(N(C)C)cc2)c1)C(=O)CN.O=C(O)C(=O)O
InChIInChI=1S/C18H23N3O.C2H2O4/c1-20(2)17-9-7-15(8-10-17)16-6-4-5-14(11-16)13-21(3)18(22)12-19;3-1(4)2(5)6/h4-11H,12-13,19H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyKALZVNWLWDJYSQ-UHFFFAOYSA-N
XLogP1.49
TPSA124.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide
CID 70572290
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CID 70572253
2-amino-N-[[3-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-methylacetamide;dihydrochloride
CID 134138777
2-amino-N-[[3-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-N-methylacetamide
CID 70572704
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 60672644
N-[4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]phenyl]-3-hydroxypropanamide
CID 70572054
2-amino-N-methyl-N-[[3-[4-(6-phenylhexanoyl)phenyl]phenyl]methyl]acetamide
CID 161031506
2-amino-N-[[3-[4-(2-cyclopentylacetyl)phenyl]phenyl]methyl]-N-methylacetamide
CID 153179413
4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-[[2-(dimethylamino)phenyl]methyl]benzamide
CID 70584009
2-amino-N-[[3-[4-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide
CID 70572392
2-amino-N-[[3-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide
CID 70572434
4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-(2-piperidin-1-ylethyl)benzamide
CID 70583070

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid?
The IUPAC name of 2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid (CID 134137520) is 2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid.
What is the SMILES notation for 2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid?
The canonical SMILES for 2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid is CN(Cc1cccc(-c2ccc(N(C)C)cc2)c1)C(=O)CN.O=C(O)C(=O)O.
What is the InChIKey of 2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid?
The InChIKey is KALZVNWLWDJYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.C2H2O4/c1-20(2)17-9-7-15(8-10-17)16-6-4-5-14(11-16)13-21(3)18(22)12-19;3-1(4)2(5)6/h4-11H,12-13,19H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid?
2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid has a molecular weight of 387.44 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid is sourced from PubChem (CID 134137520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).