N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(6-methyl-3-pyridinyl)acetamide

C19H24N2O — CID 95294268

IUPACN-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc(CC(=O)N[C@@H](C)C(C)(C)c2ccccc2)cn1
InChIInChI=1S/C19H24N2O/c1-14-10-11-16(13-20-14)12-18(22)21-15(2)19(3,4)17-8-6-5-7-9-17/h5-11,13,15H,12H2,1-4H3,(H,21,22)/t15-/m0/s1
InChIKeyIUUHFQCDZHPTDF-HNNXBMFYSA-N
MW296.41 g/mol
LogP3.42
Rot. Bonds5

About N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(6-methyl-3-pyridinyl)acetamide

N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(6-methyl-3-pyridinyl)acetamide (PubChem CID 95294268) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(6-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(6-methyl-3-pyridinyl)acetamide
PubChem CID95294268
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc(CC(=O)N[C@@H](C)C(C)(C)c2ccccc2)cn1
InChIInChI=1S/C19H24N2O/c1-14-10-11-16(13-20-14)12-18(22)21-15(2)19(3,4)17-8-6-5-7-9-17/h5-11,13,15H,12H2,1-4H3,(H,21,22)/t15-/m0/s1
InChIKeyIUUHFQCDZHPTDF-HNNXBMFYSA-N
XLogP3.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate
CID 47337828
2,2-dimethyl-3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid
CID 119249860
N-(2-benzyl-3-methylbutyl)-2-(6-methyl-3-pyridinyl)acetamide
CID 119045231
N-(2,6-dimethyl-3-pyridinyl)-N'-[(2R)-3-methyl-3-phenylbutan-2-yl]oxamide
CID 99616588
N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide
CID 42561776
4-methyl-4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid
CID 119204226
2-(6-methyl-3-pyridinyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 95285831
2-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]pentanoic acid
CID 119192178
4-(methylamino)-N-(3-methyl-3-phenylbutan-2-yl)butanamide;hydrochloride
CID 119765445
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 96550885
2-(cyclopropylmethylamino)-N-(3-methyl-3-phenylbutan-2-yl)acetamide;hydrochloride
CID 119765459
N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 95308028

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(6-methyl-3-pyridinyl)acetamide?
The IUPAC name of N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(6-methyl-3-pyridinyl)acetamide (CID 95294268) is N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(6-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(6-methyl-3-pyridinyl)acetamide?
The canonical SMILES for N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(6-methyl-3-pyridinyl)acetamide is Cc1ccc(CC(=O)N[C@@H](C)C(C)(C)c2ccccc2)cn1.
What is the InChIKey of N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(6-methyl-3-pyridinyl)acetamide?
The InChIKey is IUUHFQCDZHPTDF-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-14-10-11-16(13-20-14)12-18(22)21-15(2)19(3,4)17-8-6-5-7-9-17/h5-11,13,15H,12H2,1-4H3,(H,21,22)/t15-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(6-methyl-3-pyridinyl)acetamide?
N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(6-methyl-3-pyridinyl)acetamide has a molecular weight of 296.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(6-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 95294268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).