N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(6-methyl-3-pyridinyl)acetamide

C16H26N2O2 — CID 111697438

IUPACN-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc(CC(=O)NCC(CCO)CC(C)C)cn1
InChIInChI=1S/C16H26N2O2/c1-12(2)8-15(6-7-19)11-18-16(20)9-14-5-4-13(3)17-10-14/h4-5,10,12,15,19H,6-9,11H2,1-3H3,(H,18,20)
InChIKeyJWNMBNLURXVWHX-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.09
Rot. Bonds8

About N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(6-methyl-3-pyridinyl)acetamide

N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(6-methyl-3-pyridinyl)acetamide (PubChem CID 111697438) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(6-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(6-methyl-3-pyridinyl)acetamide
PubChem CID111697438
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc(CC(=O)NCC(CCO)CC(C)C)cn1
InChIInChI=1S/C16H26N2O2/c1-12(2)8-15(6-7-19)11-18-16(20)9-14-5-4-13(3)17-10-14/h4-5,10,12,15,19H,6-9,11H2,1-3H3,(H,18,20)
InChIKeyJWNMBNLURXVWHX-UHFFFAOYSA-N
XLogP2.09
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzyl-3-methylbutyl)-2-(6-methyl-3-pyridinyl)acetamide
CID 119045231
N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 111697544
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 111697460
N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662609
5-methyl-3-[[[2-(4-methylphenyl)acetyl]amino]methyl]hexanoic acid
CID 65492664
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide
CID 111662419
4-acetyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662598
N-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide
CID 111662589
N-[2-(2-hydroxyethyl)-4-methylpentyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 111697434
3-(2-aminophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]propanamide
CID 120611754
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(6-methyl-3-pyridinyl)acetamide?
The IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(6-methyl-3-pyridinyl)acetamide (CID 111697438) is N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(6-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(6-methyl-3-pyridinyl)acetamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(6-methyl-3-pyridinyl)acetamide is Cc1ccc(CC(=O)NCC(CCO)CC(C)C)cn1.
What is the InChIKey of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(6-methyl-3-pyridinyl)acetamide?
The InChIKey is JWNMBNLURXVWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)8-15(6-7-19)11-18-16(20)9-14-5-4-13(3)17-10-14/h4-5,10,12,15,19H,6-9,11H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(6-methyl-3-pyridinyl)acetamide?
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(6-methyl-3-pyridinyl)acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(6-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 111697438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).