N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide

C18H20N2O2 — CID 69223923

IUPACN-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide
SMILESO=C(Nc1ccc(O)cc1)N1CCCCCc2ccccc21
InChIInChI=1S/C18H20N2O2/c21-16-11-9-15(10-12-16)19-18(22)20-13-5-1-2-6-14-7-3-4-8-17(14)20/h3-4,7-12,21H,1-2,5-6,13H2,(H,19,22)
InChIKeyDJAYQKKUNIESNL-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.16
Rot. Bonds1

About N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide

N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide (PubChem CID 69223923) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide
PubChem CID69223923
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide
SMILESO=C(Nc1ccc(O)cc1)N1CCCCCc2ccccc21
InChIInChI=1S/C18H20N2O2/c21-16-11-9-15(10-12-16)19-18(22)20-13-5-1-2-6-14-7-3-4-8-17(14)20/h3-4,7-12,21H,1-2,5-6,13H2,(H,19,22)
InChIKeyDJAYQKKUNIESNL-UHFFFAOYSA-N
XLogP4.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338653
N-(3-hydroxy-4-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69224339
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338642
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 20943972
N-(1-methyl-6-oxo-3-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69220949
N-(4-aminophenyl)-7-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221292
N-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 166316460
N-(4-aminophenyl)-2,3-dihydroindole-1-carboxamide
CID 43469027
CID 144672697
CID 144672697
N-(4-hydroxy-3-nitrophenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69222909
N-[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338616
N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338657

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide (CID 69223923) is N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide is O=C(Nc1ccc(O)cc1)N1CCCCCc2ccccc21.
What is the InChIKey of N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide?
The InChIKey is DJAYQKKUNIESNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-16-11-9-15(10-12-16)19-18(22)20-13-5-1-2-6-14-7-3-4-8-17(14)20/h3-4,7-12,21H,1-2,5-6,13H2,(H,19,22).
What are the key properties of N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide?
N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 4.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide is sourced from PubChem (CID 69223923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).