(2S)-N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide

C25H28N2O2 — CID 8516586

IUPAC(2S)-N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide
SMILESCOc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N(C)Cc1ccccc1C
InChIInChI=1S/C25H28N2O2/c1-18-14-15-23(29-4)22(16-18)26-25(28)24(20-11-6-5-7-12-20)27(3)17-21-13-9-8-10-19(21)2/h5-16,24H,17H2,1-4H3,(H,26,28)/t24-/m0/s1
InChIKeyPHCCUZXJPOICCD-DEOSSOPVSA-N
MW388.51 g/mol
LogP5.12
Rot. Bonds7

About (2S)-N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide

(2S)-N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide (PubChem CID 8516586) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is (2S)-N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide
PubChem CID8516586
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name(2S)-N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide
SMILESCOc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N(C)Cc1ccccc1C
InChIInChI=1S/C25H28N2O2/c1-18-14-15-23(29-4)22(16-18)26-25(28)24(20-11-6-5-7-12-20)27(3)17-21-13-9-8-10-19(21)2/h5-16,24H,17H2,1-4H3,(H,26,28)/t24-/m0/s1
InChIKeyPHCCUZXJPOICCD-DEOSSOPVSA-N
XLogP5.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 4882071
(2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 34714704
(2S)-2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 27245811
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
(2R)-N-(ethylcarbamoyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-phenylacetamide
CID 8805645
(2S)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9045836
(2R)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9045840
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methylbenzoate
CID 4853970
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 8015324
N-(2-ethoxyphenyl)-2-[(2-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 55351620
N-(3-acetylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide
CID 55351492
(2R)-2-[[(2S)-2-hydroxy-2-phenylethyl]amino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 2434114

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide (CID 8516586) is (2S)-N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide is COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N(C)Cc1ccccc1C.
What is the InChIKey of (2S)-N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide?
The InChIKey is PHCCUZXJPOICCD-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-18-14-15-23(29-4)22(16-18)26-25(28)24(20-11-6-5-7-12-20)27(3)17-21-13-9-8-10-19(21)2/h5-16,24H,17H2,1-4H3,(H,26,28)/t24-/m0/s1.
What are the key properties of (2S)-N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide?
(2S)-N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide has a molecular weight of 388.51 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide is sourced from PubChem (CID 8516586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).