4-hydroxy-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]cyclohexane-1-carboxamide

C22H32N2O3 — CID 158261114

IUPAC4-hydroxy-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]cyclohexane-1-carboxamide
SMILESCC(=O)CC1(O)CCC(C(=O)NCCCc2ccc3c(n2)CCCC3)CC1
InChIInChI=1S/C22H32N2O3/c1-16(25)15-22(27)12-10-18(11-13-22)21(26)23-14-4-6-19-9-8-17-5-2-3-7-20(17)24-19/h8-9,18,27H,2-7,10-15H2,1H3,(H,23,26)
InChIKeyALWMFPLXLFEXAF-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.91
Rot. Bonds7

About 4-hydroxy-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]cyclohexane-1-carboxamide

4-hydroxy-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]cyclohexane-1-carboxamide (PubChem CID 158261114) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 4-hydroxy-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]cyclohexane-1-carboxamide
PubChem CID158261114
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name4-hydroxy-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]cyclohexane-1-carboxamide
SMILESCC(=O)CC1(O)CCC(C(=O)NCCCc2ccc3c(n2)CCCC3)CC1
InChIInChI=1S/C22H32N2O3/c1-16(25)15-22(27)12-10-18(11-13-22)21(26)23-14-4-6-19-9-8-17-5-2-3-7-20(17)24-19/h8-9,18,27H,2-7,10-15H2,1H3,(H,23,26)
InChIKeyALWMFPLXLFEXAF-UHFFFAOYSA-N
XLogP2.91
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]propanoic acid
CID 142419026
N-[3-[6-(methylamino)-2-pyridinyl]propyl]-1-(2-oxopropyl)piperidine-4-carboxamide
CID 161116658
2-acetamido-2-[3-hydroxy-1-[6-(5,6,7,8-tetrahydroquinolin-2-yl)hexanoyl]azetidin-3-yl]acetic acid
CID 148832342
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclopropanecarboxamide
CID 110787330
2-[(3R)-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid
CID 135312433
N-(3-tert-butyl-4-hydroxypent-4-enyl)-5-(5,6,7,8-tetrahydroquinolin-2-yl)pentanamide
CID 163443467
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]cyclobutanecarboxamide
CID 110787783
(2R)-2-[2-[(4S)-2,2-dimethyloxan-4-yl]-2-oxoethyl]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid
CID 165032005
5-amino-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]spiro[2.3]hexane-2-carboxamide
CID 166295535
ethyl (2S)-2-[[(2S,3S)-3-methylpyrrolidine-2-carbonyl]amino]-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoate
CID 159734899
2-[3-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]azetidin-3-yl]acetic acid
CID 135317929
2-(chloromethyl)-5,6,7,8-tetrahydroquinoline;hydrochloride
CID 138374175

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-hydroxy-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]cyclohexane-1-carboxamide (CID 158261114) is 4-hydroxy-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-hydroxy-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-hydroxy-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]cyclohexane-1-carboxamide is CC(=O)CC1(O)CCC(C(=O)NCCCc2ccc3c(n2)CCCC3)CC1.
What is the InChIKey of 4-hydroxy-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]cyclohexane-1-carboxamide?
The InChIKey is ALWMFPLXLFEXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-16(25)15-22(27)12-10-18(11-13-22)21(26)23-14-4-6-19-9-8-17-5-2-3-7-20(17)24-19/h8-9,18,27H,2-7,10-15H2,1H3,(H,23,26).
What are the key properties of 4-hydroxy-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]cyclohexane-1-carboxamide?
4-hydroxy-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]cyclohexane-1-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 158261114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).