N-(4-hydroxybutyl)-N-(quinolin-2-ylmethyl)acetamide

C16H20N2O2 — CID 57029927

IUPACN-(4-hydroxybutyl)-N-(quinolin-2-ylmethyl)acetamide
SMILESCC(=O)N(CCCCO)Cc1ccc2ccccc2n1
InChIInChI=1S/C16H20N2O2/c1-13(20)18(10-4-5-11-19)12-15-9-8-14-6-2-3-7-16(14)17-15/h2-3,6-9,19H,4-5,10-12H2,1H3
InChIKeyBEWMMIJYSRELRT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.36
Rot. Bonds6

About N-(4-hydroxybutyl)-N-(quinolin-2-ylmethyl)acetamide

N-(4-hydroxybutyl)-N-(quinolin-2-ylmethyl)acetamide (PubChem CID 57029927) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-N-(quinolin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-N-(quinolin-2-ylmethyl)acetamide
PubChem CID57029927
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(4-hydroxybutyl)-N-(quinolin-2-ylmethyl)acetamide
SMILESCC(=O)N(CCCCO)Cc1ccc2ccccc2n1
InChIInChI=1S/C16H20N2O2/c1-13(20)18(10-4-5-11-19)12-15-9-8-14-6-2-3-7-16(14)17-15/h2-3,6-9,19H,4-5,10-12H2,1H3
InChIKeyBEWMMIJYSRELRT-UHFFFAOYSA-N
XLogP2.36
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-quinolin-2-ylnonan-1-ol
CID 19898716
3-quinolin-2-ylpropan-1-ol;dihydrochloride
CID 175501927
N-octyl-N-(quinolin-2-ylmethyl)furan-2-carboxamide
CID 42779532
N-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 138692452
N,N-dimethyl-3-quinolin-2-ylpropanamide
CID 110464890
N-pentyl-N-(pyridin-2-ylmethyl)acetamide
CID 46206176
2-[pentan-3-yl(quinolin-2-ylmethyl)amino]ethanol
CID 62016642
N-[[3,5-bis[[bis(quinolin-2-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methyl]-1-quinolin-2-yl-N-(quinolin-2-ylmethyl)methanamine
CID 139172571
5-(quinolin-2-ylmethylamino)pentan-1-ol
CID 107302820
N-propan-2-yl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 20687195
N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine
CID 101381014
N-ethyl-2-(4-methoxyphenyl)-N-(quinolin-2-ylmethyl)acetamide
CID 56786077

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-N-(quinolin-2-ylmethyl)acetamide?
The IUPAC name of N-(4-hydroxybutyl)-N-(quinolin-2-ylmethyl)acetamide (CID 57029927) is N-(4-hydroxybutyl)-N-(quinolin-2-ylmethyl)acetamide.
What is the SMILES notation for N-(4-hydroxybutyl)-N-(quinolin-2-ylmethyl)acetamide?
The canonical SMILES for N-(4-hydroxybutyl)-N-(quinolin-2-ylmethyl)acetamide is CC(=O)N(CCCCO)Cc1ccc2ccccc2n1.
What is the InChIKey of N-(4-hydroxybutyl)-N-(quinolin-2-ylmethyl)acetamide?
The InChIKey is BEWMMIJYSRELRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-13(20)18(10-4-5-11-19)12-15-9-8-14-6-2-3-7-16(14)17-15/h2-3,6-9,19H,4-5,10-12H2,1H3.
What are the key properties of N-(4-hydroxybutyl)-N-(quinolin-2-ylmethyl)acetamide?
N-(4-hydroxybutyl)-N-(quinolin-2-ylmethyl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-N-(quinolin-2-ylmethyl)acetamide is sourced from PubChem (CID 57029927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).