(3R)-N-[(1R)-2-cyclohexyl-1-cyclopropylethyl]-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C21H30N2O2 — CID 134355603

IUPAC(3R)-N-[(1R)-2-cyclohexyl-1-cyclopropylethyl]-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(N[C@H](CC1CCCCC1)C1CC1)[C@H]1Cc2ccc(O)cc2CN1
InChIInChI=1S/C21H30N2O2/c24-18-9-8-16-12-20(22-13-17(16)11-18)21(25)23-19(15-6-7-15)10-14-4-2-1-3-5-14/h8-9,11,14-15,19-20,22,24H,1-7,10,12-13H2,(H,23,25)/t19-,20-/m1/s1
InChIKeyJUAYNKMKWBRWAH-WOJBJXKFSA-N
MW342.48 g/mol
LogP3.27
Rot. Bonds5

About (3R)-N-[(1R)-2-cyclohexyl-1-cyclopropylethyl]-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3R)-N-[(1R)-2-cyclohexyl-1-cyclopropylethyl]-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 134355603) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is (3R)-N-[(1R)-2-cyclohexyl-1-cyclopropylethyl]-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-2-cyclohexyl-1-cyclopropylethyl]-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID134355603
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name(3R)-N-[(1R)-2-cyclohexyl-1-cyclopropylethyl]-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(N[C@H](CC1CCCCC1)C1CC1)[C@H]1Cc2ccc(O)cc2CN1
InChIInChI=1S/C21H30N2O2/c24-18-9-8-16-12-20(22-13-17(16)11-18)21(25)23-19(15-6-7-15)10-14-4-2-1-3-5-14/h8-9,11,14-15,19-20,22,24H,1-7,10,12-13H2,(H,23,25)/t19-,20-/m1/s1
InChIKeyJUAYNKMKWBRWAH-WOJBJXKFSA-N
XLogP3.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[(1R)-2-cyclohexyl-1-cyclopropylethyl]-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

Jdtic
CID 9956146
(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione
CID 11267350
H-Dmt-Tic-Gly-NH-Bzl
CID 10864183
H-Dmt-Tic-Glu-NH2
CID 11156202
H-2',6'-dimethyltyrosine-Tic-OH
CID 15384271
H-Dmt-Tic-Glu-NH-(CH2)5-NH2
CID 44421433
AT-076
CID 91938095
(3S,6S)-3-Benzyl-6-(4-Hydroxy-Benzyl)-Piperazine-2,5-Dione
CID 11438306
H-Dmt-Aba-Gly-NH-CH2-Ph
CID 11664525
H-Dmt-Tic-Asp-NH-Bzl
CID 25034010
1,6-bis-(N,N-dimethyl-Dmt-Tic-NH)hexane
CID 44405153
1,4-bis-(Dmt-Tic-amino)butane
CID 44405158

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-2-cyclohexyl-1-cyclopropylethyl]-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-[(1R)-2-cyclohexyl-1-cyclopropylethyl]-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 134355603) is (3R)-N-[(1R)-2-cyclohexyl-1-cyclopropylethyl]-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1R)-2-cyclohexyl-1-cyclopropylethyl]-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-[(1R)-2-cyclohexyl-1-cyclopropylethyl]-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(N[C@H](CC1CCCCC1)C1CC1)[C@H]1Cc2ccc(O)cc2CN1.
What is the InChIKey of (3R)-N-[(1R)-2-cyclohexyl-1-cyclopropylethyl]-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is JUAYNKMKWBRWAH-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-18-9-8-16-12-20(22-13-17(16)11-18)21(25)23-19(15-6-7-15)10-14-4-2-1-3-5-14/h8-9,11,14-15,19-20,22,24H,1-7,10,12-13H2,(H,23,25)/t19-,20-/m1/s1.
What are the key properties of (3R)-N-[(1R)-2-cyclohexyl-1-cyclopropylethyl]-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N-[(1R)-2-cyclohexyl-1-cyclopropylethyl]-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-2-cyclohexyl-1-cyclopropylethyl]-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 134355603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).