(2S)-N-(4-tert-butylphenyl)-2-(6-methoxy-3-pyridinyl)-2-(methylamino)acetamide

C19H25N3O2 — CID 125498935

IUPAC(2S)-N-(4-tert-butylphenyl)-2-(6-methoxy-3-pyridinyl)-2-(methylamino)acetamide
SMILESCN[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(OC)nc1
InChIInChI=1S/C19H25N3O2/c1-19(2,3)14-7-9-15(10-8-14)22-18(23)17(20-4)13-6-11-16(24-5)21-12-13/h6-12,17,20H,1-5H3,(H,22,23)/t17-/m0/s1
InChIKeyLSGCITDTHWTHPA-KRWDZBQOSA-N
MW327.43 g/mol
LogP3.29
Rot. Bonds5

About (2S)-N-(4-tert-butylphenyl)-2-(6-methoxy-3-pyridinyl)-2-(methylamino)acetamide

(2S)-N-(4-tert-butylphenyl)-2-(6-methoxy-3-pyridinyl)-2-(methylamino)acetamide (PubChem CID 125498935) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2S)-N-(4-tert-butylphenyl)-2-(6-methoxy-3-pyridinyl)-2-(methylamino)acetamide.

Molecular Properties

Compound Name(2S)-N-(4-tert-butylphenyl)-2-(6-methoxy-3-pyridinyl)-2-(methylamino)acetamide
PubChem CID125498935
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2S)-N-(4-tert-butylphenyl)-2-(6-methoxy-3-pyridinyl)-2-(methylamino)acetamide
SMILESCN[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(OC)nc1
InChIInChI=1S/C19H25N3O2/c1-19(2,3)14-7-9-15(10-8-14)22-18(23)17(20-4)13-6-11-16(24-5)21-12-13/h6-12,17,20H,1-5H3,(H,22,23)/t17-/m0/s1
InChIKeyLSGCITDTHWTHPA-KRWDZBQOSA-N
XLogP3.29
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-tert-butylphenyl)-2-(4-fluorophenyl)-2-(methylamino)acetamide
CID 125498890
4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936268
2-bromo-N-(6-methoxy-3-pyridinyl)propanamide
CID 107902789
(2R)-2-amino-N-(4-tert-butylphenyl)-2-(4-methoxyphenyl)acetamide
CID 125499160
2-amino-N-(6-methoxy-3-pyridinyl)-2-(4-methylphenyl)acetamide
CID 106151757
3-(4-tert-butylphenoxy)-N-(6-methoxy-3-pyridinyl)propanamide
CID 18289170
N-(6-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propanamide
CID 62834491
2-(4-chloroanilino)-2-(6-methoxy-3-pyridinyl)acetamide
CID 114937350
(2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide
CID 9210800
methyl 2-(6-methoxy-3-pyridinyl)-2-methylpropanoate
CID 150017667
2-amino-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide
CID 61266355
3-hydroxy-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoic acid
CID 114938478

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-tert-butylphenyl)-2-(6-methoxy-3-pyridinyl)-2-(methylamino)acetamide?
The IUPAC name of (2S)-N-(4-tert-butylphenyl)-2-(6-methoxy-3-pyridinyl)-2-(methylamino)acetamide (CID 125498935) is (2S)-N-(4-tert-butylphenyl)-2-(6-methoxy-3-pyridinyl)-2-(methylamino)acetamide.
What is the SMILES notation for (2S)-N-(4-tert-butylphenyl)-2-(6-methoxy-3-pyridinyl)-2-(methylamino)acetamide?
The canonical SMILES for (2S)-N-(4-tert-butylphenyl)-2-(6-methoxy-3-pyridinyl)-2-(methylamino)acetamide is CN[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(OC)nc1.
What is the InChIKey of (2S)-N-(4-tert-butylphenyl)-2-(6-methoxy-3-pyridinyl)-2-(methylamino)acetamide?
The InChIKey is LSGCITDTHWTHPA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-19(2,3)14-7-9-15(10-8-14)22-18(23)17(20-4)13-6-11-16(24-5)21-12-13/h6-12,17,20H,1-5H3,(H,22,23)/t17-/m0/s1.
What are the key properties of (2S)-N-(4-tert-butylphenyl)-2-(6-methoxy-3-pyridinyl)-2-(methylamino)acetamide?
(2S)-N-(4-tert-butylphenyl)-2-(6-methoxy-3-pyridinyl)-2-(methylamino)acetamide has a molecular weight of 327.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-tert-butylphenyl)-2-(6-methoxy-3-pyridinyl)-2-(methylamino)acetamide is sourced from PubChem (CID 125498935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).