N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C22H26N2O3 — CID 119329352

IUPACN-[4-(2-hydroxycyclohexyl)oxyphenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(Nc1ccc(OC2CCCCC2O)cc1)C1Cc2ccccc2CN1
InChIInChI=1S/C22H26N2O3/c25-20-7-3-4-8-21(20)27-18-11-9-17(10-12-18)24-22(26)19-13-15-5-1-2-6-16(15)14-23-19/h1-2,5-6,9-12,19-21,23,25H,3-4,7-8,13-14H2,(H,24,26)
InChIKeyJLHREJSKXMSYKD-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.02
Rot. Bonds4

About N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 119329352) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxycyclohexyl)oxyphenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID119329352
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[4-(2-hydroxycyclohexyl)oxyphenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(Nc1ccc(OC2CCCCC2O)cc1)C1Cc2ccccc2CN1
InChIInChI=1S/C22H26N2O3/c25-20-7-3-4-8-21(20)27-18-11-9-17(10-12-18)24-22(26)19-13-15-5-1-2-6-16(15)14-23-19/h1-2,5-6,9-12,19-21,23,25H,3-4,7-8,13-14H2,(H,24,26)
InChIKeyJLHREJSKXMSYKD-UHFFFAOYSA-N
XLogP3.02
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24692281
N-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119841210
N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 75063801
N-[4-(propanoylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119296176
(3S)-N-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 164829714
N-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 119841209
N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 107221971
N-[4-(2-hydroxyethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119279684
N-[4-(ethylsulfonylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119282551
(3S)-N-[4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 117075909
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]cyclooctane-1-carboxamide
CID 119793771
(2S)-N-(4-methoxyphenyl)-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide
CID 40805739

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 119329352) is N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(Nc1ccc(OC2CCCCC2O)cc1)C1Cc2ccccc2CN1.
What is the InChIKey of N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is JLHREJSKXMSYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-20-7-3-4-8-21(20)27-18-11-9-17(10-12-18)24-22(26)19-13-15-5-1-2-6-16(15)14-23-19/h1-2,5-6,9-12,19-21,23,25H,3-4,7-8,13-14H2,(H,24,26).
What are the key properties of N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 119329352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).