(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

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Related Compounds

2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-(2-pyridin-2-ylethyl)acetamide;hydrochloride
CID 66637635
(2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide
CID 25182506
(2S)-2-amino-N-[2-(3,4-difluorophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride
CID 68933647
2-amino-N-[2-(4-cyanophenyl)ethyl]-N-(3,4-dimethylphenyl)-2-phenylacetamide;hydrochloride
CID 68727133
[(1S)-2-[3,4-dimethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]anilino]-2-oxo-1-phenylethyl]carbamic acid
CID 174614053
2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 68933496
2-amino-N-(3,4-dimethylphenyl)-N-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;hydrochloride
CID 68727745
(2S)-2-amino-N-(3,4-dimethylphenyl)-2-phenyl-N-[2-[2,3,6-trifluoro-4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 86626962
N-(3,4-dimethylphenyl)-2-phenyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143913137
N-(3,4-dimethylphenyl)-2-hydroxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-phenylacetamide
CID 66637102
2-amino-N-[2-[3,4-dimethyl-N-[2-(4-methylphenyl)ethyl]anilino]-2-oxo-1-phenylethyl]propanamide
CID 76569012
2-amino-N-(4-methylphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 25183857

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).