2,3-dimethylbutane;2-(3-propan-2-ylphenyl)pyridine;N-[(3R)-2,2,4-trimethylpentan-3-yl]acetamide

C30H50N2O — CID 159719574

IUPAC2,3-dimethylbutane;2-(3-propan-2-ylphenyl)pyridine;N-[(3R)-2,2,4-trimethylpentan-3-yl]acetamide
SMILESCC(=O)N[C@H](C(C)C)C(C)(C)C.CC(C)C(C)C.CC(C)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C14H15N.C10H21NO.C6H14/c1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15-14;1-7(2)9(10(4,5)6)11-8(3)12;1-5(2)6(3)4/h3-11H,1-2H3;7,9H,1-6H3,(H,11,12);5-6H,1-4H3/t;9-;/m.1./s1
InChIKeyMZWAVVSWQYSSRW-IQPANZSWSA-N
MW454.74 g/mol
LogP8.36
Rot. Bonds5

About 2,3-dimethylbutane;2-(3-propan-2-ylphenyl)pyridine;N-[(3R)-2,2,4-trimethylpentan-3-yl]acetamide

2,3-dimethylbutane;2-(3-propan-2-ylphenyl)pyridine;N-[(3R)-2,2,4-trimethylpentan-3-yl]acetamide (PubChem CID 159719574) has the molecular formula C30H50N2O and a molecular weight of 454.74 g/mol. Its IUPAC name is 2,3-dimethylbutane;2-(3-propan-2-ylphenyl)pyridine;N-[(3R)-2,2,4-trimethylpentan-3-yl]acetamide.

Molecular Properties

Compound Name2,3-dimethylbutane;2-(3-propan-2-ylphenyl)pyridine;N-[(3R)-2,2,4-trimethylpentan-3-yl]acetamide
PubChem CID159719574
Molecular FormulaC30H50N2O
Molecular Weight454.74 g/mol
Exact Mass454.39
IUPAC Name2,3-dimethylbutane;2-(3-propan-2-ylphenyl)pyridine;N-[(3R)-2,2,4-trimethylpentan-3-yl]acetamide
SMILESCC(=O)N[C@H](C(C)C)C(C)(C)C.CC(C)C(C)C.CC(C)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C14H15N.C10H21NO.C6H14/c1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15-14;1-7(2)9(10(4,5)6)11-8(3)12;1-5(2)6(3)4/h3-11H,1-2H3;7,9H,1-6H3,(H,11,12);5-6H,1-4H3/t;9-;/m.1./s1
InChIKeyMZWAVVSWQYSSRW-IQPANZSWSA-N
XLogP8.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.74
LogP ≤ 58.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane;2-(3-propan-2-ylphenyl)pyridine;N-[(3R)-2,2,4-trimethylpentan-3-yl]acetamide?
The IUPAC name of 2,3-dimethylbutane;2-(3-propan-2-ylphenyl)pyridine;N-[(3R)-2,2,4-trimethylpentan-3-yl]acetamide (CID 159719574) is 2,3-dimethylbutane;2-(3-propan-2-ylphenyl)pyridine;N-[(3R)-2,2,4-trimethylpentan-3-yl]acetamide.
What is the SMILES notation for 2,3-dimethylbutane;2-(3-propan-2-ylphenyl)pyridine;N-[(3R)-2,2,4-trimethylpentan-3-yl]acetamide?
The canonical SMILES for 2,3-dimethylbutane;2-(3-propan-2-ylphenyl)pyridine;N-[(3R)-2,2,4-trimethylpentan-3-yl]acetamide is CC(=O)N[C@H](C(C)C)C(C)(C)C.CC(C)C(C)C.CC(C)c1cccc(-c2ccccn2)c1.
What is the InChIKey of 2,3-dimethylbutane;2-(3-propan-2-ylphenyl)pyridine;N-[(3R)-2,2,4-trimethylpentan-3-yl]acetamide?
The InChIKey is MZWAVVSWQYSSRW-IQPANZSWSA-N. The full InChI is InChI=1S/C14H15N.C10H21NO.C6H14/c1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15-14;1-7(2)9(10(4,5)6)11-8(3)12;1-5(2)6(3)4/h3-11H,1-2H3;7,9H,1-6H3,(H,11,12);5-6H,1-4H3/t;9-;/m.1./s1.
What are the key properties of 2,3-dimethylbutane;2-(3-propan-2-ylphenyl)pyridine;N-[(3R)-2,2,4-trimethylpentan-3-yl]acetamide?
2,3-dimethylbutane;2-(3-propan-2-ylphenyl)pyridine;N-[(3R)-2,2,4-trimethylpentan-3-yl]acetamide has a molecular weight of 454.74 g/mol, XLogP of 8.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane;2-(3-propan-2-ylphenyl)pyridine;N-[(3R)-2,2,4-trimethylpentan-3-yl]acetamide is sourced from PubChem (CID 159719574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).