(2S)-2-amino-N-(3,4-dimethylphenyl)-N-[2-(5-methyl-2-pyridinyl)ethyl]-2-phenylacetamide

C24H27N3O — CID 44546437

IUPAC(2S)-2-amino-N-(3,4-dimethylphenyl)-N-[2-(5-methyl-2-pyridinyl)ethyl]-2-phenylacetamide
SMILESCc1ccc(CCN(C(=O)[C@@H](N)c2ccccc2)c2ccc(C)c(C)c2)nc1
InChIInChI=1S/C24H27N3O/c1-17-9-11-21(26-16-17)13-14-27(22-12-10-18(2)19(3)15-22)24(28)23(25)20-7-5-4-6-8-20/h4-12,15-16,23H,13-14,25H2,1-3H3/t23-/m0/s1
InChIKeyBSGLHIRFANJTOX-QHCPKHFHSA-N
MW373.50 g/mol
LogP4.28
Rot. Bonds6

About (2S)-2-amino-N-(3,4-dimethylphenyl)-N-[2-(5-methyl-2-pyridinyl)ethyl]-2-phenylacetamide

(2S)-2-amino-N-(3,4-dimethylphenyl)-N-[2-(5-methyl-2-pyridinyl)ethyl]-2-phenylacetamide (PubChem CID 44546437) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is (2S)-2-amino-N-(3,4-dimethylphenyl)-N-[2-(5-methyl-2-pyridinyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3,4-dimethylphenyl)-N-[2-(5-methyl-2-pyridinyl)ethyl]-2-phenylacetamide
PubChem CID44546437
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name(2S)-2-amino-N-(3,4-dimethylphenyl)-N-[2-(5-methyl-2-pyridinyl)ethyl]-2-phenylacetamide
SMILESCc1ccc(CCN(C(=O)[C@@H](N)c2ccccc2)c2ccc(C)c(C)c2)nc1
InChIInChI=1S/C24H27N3O/c1-17-9-11-21(26-16-17)13-14-27(22-12-10-18(2)19(3)15-22)24(28)23(25)20-7-5-4-6-8-20/h4-12,15-16,23H,13-14,25H2,1-3H3/t23-/m0/s1
InChIKeyBSGLHIRFANJTOX-QHCPKHFHSA-N
XLogP4.28
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-(3,4-dimethylphenyl)-N-[2-(5-methyl-2-pyridinyl)ethyl]-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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3,4-dimethylphenyl)-N-[2-(5-methyl-2-pyridinyl)ethyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-(3,4-dimethylphenyl)-N-[2-(5-methyl-2-pyridinyl)ethyl]-2-phenylacetamide (CID 44546437) is (2S)-2-amino-N-(3,4-dimethylphenyl)-N-[2-(5-methyl-2-pyridinyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-(3,4-dimethylphenyl)-N-[2-(5-methyl-2-pyridinyl)ethyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-(3,4-dimethylphenyl)-N-[2-(5-methyl-2-pyridinyl)ethyl]-2-phenylacetamide is Cc1ccc(CCN(C(=O)[C@@H](N)c2ccccc2)c2ccc(C)c(C)c2)nc1.
What is the InChIKey of (2S)-2-amino-N-(3,4-dimethylphenyl)-N-[2-(5-methyl-2-pyridinyl)ethyl]-2-phenylacetamide?
The InChIKey is BSGLHIRFANJTOX-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H27N3O/c1-17-9-11-21(26-16-17)13-14-27(22-12-10-18(2)19(3)15-22)24(28)23(25)20-7-5-4-6-8-20/h4-12,15-16,23H,13-14,25H2,1-3H3/t23-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3,4-dimethylphenyl)-N-[2-(5-methyl-2-pyridinyl)ethyl]-2-phenylacetamide?
(2S)-2-amino-N-(3,4-dimethylphenyl)-N-[2-(5-methyl-2-pyridinyl)ethyl]-2-phenylacetamide has a molecular weight of 373.50 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3,4-dimethylphenyl)-N-[2-(5-methyl-2-pyridinyl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 44546437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).