N-[3-[(1S,2S)-2-hydroxycyclohexyl]propyl]-2-quinolin-3-ylacetamide

C20H26N2O2 — CID 99632739

IUPACN-[3-[(1S,2S)-2-hydroxycyclohexyl]propyl]-2-quinolin-3-ylacetamide
SMILESO=C(Cc1cnc2ccccc2c1)NCCC[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C20H26N2O2/c23-19-10-4-2-6-16(19)8-5-11-21-20(24)13-15-12-17-7-1-3-9-18(17)22-14-15/h1,3,7,9,12,14,16,19,23H,2,4-6,8,10-11,13H2,(H,21,24)/t16-,19-/m0/s1
InChIKeyBVLOOOXBQKZNFT-LPHOPBHVSA-N
MW326.44 g/mol
LogP3.22
Rot. Bonds6

About N-[3-[(1S,2S)-2-hydroxycyclohexyl]propyl]-2-quinolin-3-ylacetamide

N-[3-[(1S,2S)-2-hydroxycyclohexyl]propyl]-2-quinolin-3-ylacetamide (PubChem CID 99632739) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[3-[(1S,2S)-2-hydroxycyclohexyl]propyl]-2-quinolin-3-ylacetamide.

Molecular Properties

Compound NameN-[3-[(1S,2S)-2-hydroxycyclohexyl]propyl]-2-quinolin-3-ylacetamide
PubChem CID99632739
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[3-[(1S,2S)-2-hydroxycyclohexyl]propyl]-2-quinolin-3-ylacetamide
SMILESO=C(Cc1cnc2ccccc2c1)NCCC[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C20H26N2O2/c23-19-10-4-2-6-16(19)8-5-11-21-20(24)13-15-12-17-7-1-3-9-18(17)22-14-15/h1,3,7,9,12,14,16,19,23H,2,4-6,8,10-11,13H2,(H,21,24)/t16-,19-/m0/s1
InChIKeyBVLOOOXBQKZNFT-LPHOPBHVSA-N
XLogP3.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S,2S)-2-hydroxycyclohexyl]propyl]-2-quinolin-3-ylacetamide?
The IUPAC name of N-[3-[(1S,2S)-2-hydroxycyclohexyl]propyl]-2-quinolin-3-ylacetamide (CID 99632739) is N-[3-[(1S,2S)-2-hydroxycyclohexyl]propyl]-2-quinolin-3-ylacetamide.
What is the SMILES notation for N-[3-[(1S,2S)-2-hydroxycyclohexyl]propyl]-2-quinolin-3-ylacetamide?
The canonical SMILES for N-[3-[(1S,2S)-2-hydroxycyclohexyl]propyl]-2-quinolin-3-ylacetamide is O=C(Cc1cnc2ccccc2c1)NCCC[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of N-[3-[(1S,2S)-2-hydroxycyclohexyl]propyl]-2-quinolin-3-ylacetamide?
The InChIKey is BVLOOOXBQKZNFT-LPHOPBHVSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-19-10-4-2-6-16(19)8-5-11-21-20(24)13-15-12-17-7-1-3-9-18(17)22-14-15/h1,3,7,9,12,14,16,19,23H,2,4-6,8,10-11,13H2,(H,21,24)/t16-,19-/m0/s1.
What are the key properties of N-[3-[(1S,2S)-2-hydroxycyclohexyl]propyl]-2-quinolin-3-ylacetamide?
N-[3-[(1S,2S)-2-hydroxycyclohexyl]propyl]-2-quinolin-3-ylacetamide has a molecular weight of 326.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S,2S)-2-hydroxycyclohexyl]propyl]-2-quinolin-3-ylacetamide is sourced from PubChem (CID 99632739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).