3-[[[(2R)-2-(dimethylamino)-3-phenylpropanoyl]-methylamino]methyl]benzamide

C20H25N3O2 — CID 95614937

IUPAC3-[[[(2R)-2-(dimethylamino)-3-phenylpropanoyl]-methylamino]methyl]benzamide
SMILESCN(Cc1cccc(C(N)=O)c1)C(=O)[C@@H](Cc1ccccc1)N(C)C
InChIInChI=1S/C20H25N3O2/c1-22(2)18(13-15-8-5-4-6-9-15)20(25)23(3)14-16-10-7-11-17(12-16)19(21)24/h4-12,18H,13-14H2,1-3H3,(H2,21,24)/t18-/m1/s1
InChIKeyLMRAKBRQBFUKMN-GOSISDBHSA-N
MW339.44 g/mol
LogP1.92
Rot. Bonds7

About 3-[[[(2R)-2-(dimethylamino)-3-phenylpropanoyl]-methylamino]methyl]benzamide

3-[[[(2R)-2-(dimethylamino)-3-phenylpropanoyl]-methylamino]methyl]benzamide (PubChem CID 95614937) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[[[(2R)-2-(dimethylamino)-3-phenylpropanoyl]-methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[(2R)-2-(dimethylamino)-3-phenylpropanoyl]-methylamino]methyl]benzamide
PubChem CID95614937
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[[[(2R)-2-(dimethylamino)-3-phenylpropanoyl]-methylamino]methyl]benzamide
SMILESCN(Cc1cccc(C(N)=O)c1)C(=O)[C@@H](Cc1ccccc1)N(C)C
InChIInChI=1S/C20H25N3O2/c1-22(2)18(13-15-8-5-4-6-9-15)20(25)23(3)14-16-10-7-11-17(12-16)19(21)24/h4-12,18H,13-14H2,1-3H3,(H2,21,24)/t18-/m1/s1
InChIKeyLMRAKBRQBFUKMN-GOSISDBHSA-N
XLogP1.92
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[[(2R)-2-(dimethylamino)-3-phenylpropanoyl]-methylamino]methyl]benzamide?
The IUPAC name of 3-[[[(2R)-2-(dimethylamino)-3-phenylpropanoyl]-methylamino]methyl]benzamide (CID 95614937) is 3-[[[(2R)-2-(dimethylamino)-3-phenylpropanoyl]-methylamino]methyl]benzamide.
What is the SMILES notation for 3-[[[(2R)-2-(dimethylamino)-3-phenylpropanoyl]-methylamino]methyl]benzamide?
The canonical SMILES for 3-[[[(2R)-2-(dimethylamino)-3-phenylpropanoyl]-methylamino]methyl]benzamide is CN(Cc1cccc(C(N)=O)c1)C(=O)[C@@H](Cc1ccccc1)N(C)C.
What is the InChIKey of 3-[[[(2R)-2-(dimethylamino)-3-phenylpropanoyl]-methylamino]methyl]benzamide?
The InChIKey is LMRAKBRQBFUKMN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-22(2)18(13-15-8-5-4-6-9-15)20(25)23(3)14-16-10-7-11-17(12-16)19(21)24/h4-12,18H,13-14H2,1-3H3,(H2,21,24)/t18-/m1/s1.
What are the key properties of 3-[[[(2R)-2-(dimethylamino)-3-phenylpropanoyl]-methylamino]methyl]benzamide?
3-[[[(2R)-2-(dimethylamino)-3-phenylpropanoyl]-methylamino]methyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2R)-2-(dimethylamino)-3-phenylpropanoyl]-methylamino]methyl]benzamide is sourced from PubChem (CID 95614937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).