N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[4-(dimethylamino)phenyl]methyl]benzamide

C24H25N3O2 — CID 118246756

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[4-(dimethylamino)phenyl]methyl]benzamide
SMILESCN(C)c1ccc(CN(C(=O)c2ccccc2)[C@@H](C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C24H25N3O2/c1-26(2)21-15-13-18(14-16-21)17-27(24(29)20-11-7-4-8-12-20)22(23(25)28)19-9-5-3-6-10-19/h3-16,22H,17H2,1-2H3,(H2,25,28)/t22-/m1/s1
InChIKeyVBLOVJUVTNSTKV-JOCHJYFZSA-N
MW387.48 g/mol
LogP3.62
Rot. Bonds7

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[4-(dimethylamino)phenyl]methyl]benzamide

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[4-(dimethylamino)phenyl]methyl]benzamide (PubChem CID 118246756) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[4-(dimethylamino)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[4-(dimethylamino)phenyl]methyl]benzamide
PubChem CID118246756
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[4-(dimethylamino)phenyl]methyl]benzamide
SMILESCN(C)c1ccc(CN(C(=O)c2ccccc2)[C@@H](C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C24H25N3O2/c1-26(2)21-15-13-18(14-16-21)17-27(24(29)20-11-7-4-8-12-20)22(23(25)28)19-9-5-3-6-10-19/h3-16,22H,17H2,1-2H3,(H2,25,28)/t22-/m1/s1
InChIKeyVBLOVJUVTNSTKV-JOCHJYFZSA-N
XLogP3.62
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.62
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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Related Compounds

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(3-methylphenyl)methyl]benzamide
CID 118246688
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 118246886
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(3-cyclopropylphenyl)methyl]benzamide
CID 118246775
N-(2-amino-2-oxo-1-phenylethyl)-3-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 118246798
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 118246686
(2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride
CID 68952302
[3-[[(1R)-2-amino-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]carbamoyl]phenyl] acetate
CID 118246895
N-benzhydryl-N-[(4-tert-butylphenyl)methyl]benzamide
CID 42703438
2-[(4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 42895030
3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-propan-2-ylpropanamide
CID 39363585
3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol
CID 11347068
N-benzhydryl-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 42709331

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[4-(dimethylamino)phenyl]methyl]benzamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[4-(dimethylamino)phenyl]methyl]benzamide (CID 118246756) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[4-(dimethylamino)phenyl]methyl]benzamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[4-(dimethylamino)phenyl]methyl]benzamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[4-(dimethylamino)phenyl]methyl]benzamide is CN(C)c1ccc(CN(C(=O)c2ccccc2)[C@@H](C(N)=O)c2ccccc2)cc1.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[4-(dimethylamino)phenyl]methyl]benzamide?
The InChIKey is VBLOVJUVTNSTKV-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-26(2)21-15-13-18(14-16-21)17-27(24(29)20-11-7-4-8-12-20)22(23(25)28)19-9-5-3-6-10-19/h3-16,22H,17H2,1-2H3,(H2,25,28)/t22-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[4-(dimethylamino)phenyl]methyl]benzamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[4-(dimethylamino)phenyl]methyl]benzamide has a molecular weight of 387.48 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[4-(dimethylamino)phenyl]methyl]benzamide is sourced from PubChem (CID 118246756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).