N-(2-benzyl-3-methylbutyl)-2-(6-methyl-3-pyridinyl)acetamide

C20H26N2O — CID 119045231

IUPACN-(2-benzyl-3-methylbutyl)-2-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc(CC(=O)NCC(Cc2ccccc2)C(C)C)cn1
InChIInChI=1S/C20H26N2O/c1-15(2)19(11-17-7-5-4-6-8-17)14-22-20(23)12-18-10-9-16(3)21-13-18/h4-10,13,15,19H,11-12,14H2,1-3H3,(H,22,23)
InChIKeyGPCKQJNJKHCOBY-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.56
Rot. Bonds7

About N-(2-benzyl-3-methylbutyl)-2-(6-methyl-3-pyridinyl)acetamide

N-(2-benzyl-3-methylbutyl)-2-(6-methyl-3-pyridinyl)acetamide (PubChem CID 119045231) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-(2-benzyl-3-methylbutyl)-2-(6-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2-benzyl-3-methylbutyl)-2-(6-methyl-3-pyridinyl)acetamide
PubChem CID119045231
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-(2-benzyl-3-methylbutyl)-2-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc(CC(=O)NCC(Cc2ccccc2)C(C)C)cn1
InChIInChI=1S/C20H26N2O/c1-15(2)19(11-17-7-5-4-6-8-17)14-22-20(23)12-18-10-9-16(3)21-13-18/h4-10,13,15,19H,11-12,14H2,1-3H3,(H,22,23)
InChIKeyGPCKQJNJKHCOBY-UHFFFAOYSA-N
XLogP3.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide
CID 119045205
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 111697438
(2R)-2-methyl-3-[4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]phenyl]propanoic acid
CID 129401449
N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(6-methyl-3-pyridinyl)acetamide
CID 95294268
N-(2-benzyl-3-methylbutyl)-2-(cyclopropylmethoxy)acetamide
CID 119045232
2,2-dimethyl-3-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid
CID 119249860
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 56783587
N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide
CID 47038622
6-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]pyridine-3-carboxamide
CID 6498633
6-[[2-(6-methyl-3-pyridinyl)acetyl]amino]hexanoic acid
CID 119220030
2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid
CID 119234039
methyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate
CID 47337828

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-3-methylbutyl)-2-(6-methyl-3-pyridinyl)acetamide?
The IUPAC name of N-(2-benzyl-3-methylbutyl)-2-(6-methyl-3-pyridinyl)acetamide (CID 119045231) is N-(2-benzyl-3-methylbutyl)-2-(6-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for N-(2-benzyl-3-methylbutyl)-2-(6-methyl-3-pyridinyl)acetamide?
The canonical SMILES for N-(2-benzyl-3-methylbutyl)-2-(6-methyl-3-pyridinyl)acetamide is Cc1ccc(CC(=O)NCC(Cc2ccccc2)C(C)C)cn1.
What is the InChIKey of N-(2-benzyl-3-methylbutyl)-2-(6-methyl-3-pyridinyl)acetamide?
The InChIKey is GPCKQJNJKHCOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15(2)19(11-17-7-5-4-6-8-17)14-22-20(23)12-18-10-9-16(3)21-13-18/h4-10,13,15,19H,11-12,14H2,1-3H3,(H,22,23).
What are the key properties of N-(2-benzyl-3-methylbutyl)-2-(6-methyl-3-pyridinyl)acetamide?
N-(2-benzyl-3-methylbutyl)-2-(6-methyl-3-pyridinyl)acetamide has a molecular weight of 310.44 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-3-methylbutyl)-2-(6-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 119045231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).