(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide

C19H25N3O — CID 97193939

IUPAC(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide
SMILESCc1cccc([C@@H](C(=O)NCCCc2ccncc2)N(C)C)c1
InChIInChI=1S/C19H25N3O/c1-15-6-4-8-17(14-15)18(22(2)3)19(23)21-11-5-7-16-9-12-20-13-10-16/h4,6,8-10,12-14,18H,5,7,11H2,1-3H3,(H,21,23)/t18-/m0/s1
InChIKeyONLABVSDKUEOEW-SFHVURJKSA-N
MW311.43 g/mol
LogP2.74
Rot. Bonds7

About (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide

(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide (PubChem CID 97193939) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide
PubChem CID97193939
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide
SMILESCc1cccc([C@@H](C(=O)NCCCc2ccncc2)N(C)C)c1
InChIInChI=1S/C19H25N3O/c1-15-6-4-8-17(14-15)18(22(2)3)19(23)21-11-5-7-16-9-12-20-13-10-16/h4,6,8-10,12-14,18H,5,7,11H2,1-3H3,(H,21,23)/t18-/m0/s1
InChIKeyONLABVSDKUEOEW-SFHVURJKSA-N
XLogP2.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 72849089
2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 72858955
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide
CID 50973098
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide
CID 97131699
(2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide
CID 97206308
2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 72874920
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 95119560
(2R)-2-[methyl(methylsulfonyl)amino]-N-[3-(3-methylphenyl)propyl]-2-phenylacetamide
CID 100566721
2-(methylamino)-2-phenyl-N-(3-pyridin-4-ylpropyl)acetamide
CID 91777267
N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide
CID 97150151
(2R)-2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 97117026
(2R)-2-(dimethylamino)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 95130797

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide?
The IUPAC name of (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide (CID 97193939) is (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide?
The canonical SMILES for (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide is Cc1cccc([C@@H](C(=O)NCCCc2ccncc2)N(C)C)c1.
What is the InChIKey of (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide?
The InChIKey is ONLABVSDKUEOEW-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15-6-4-8-17(14-15)18(22(2)3)19(23)21-11-5-7-16-9-12-20-13-10-16/h4,6,8-10,12-14,18H,5,7,11H2,1-3H3,(H,21,23)/t18-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide?
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide has a molecular weight of 311.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide is sourced from PubChem (CID 97193939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).