(3R)-N-[(2R)-1-cyclopentyl-3-methylbutan-2-yl]-7-hydroxy-8-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C21H32N2O2 — CID 134355601

IUPAC(3R)-N-[(2R)-1-cyclopentyl-3-methylbutan-2-yl]-7-hydroxy-8-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCc1c(O)ccc2c1CN[C@@H](C(=O)N[C@H](CC1CCCC1)C(C)C)C2
InChIInChI=1S/C21H32N2O2/c1-13(2)18(10-15-6-4-5-7-15)23-21(25)19-11-16-8-9-20(24)14(3)17(16)12-22-19/h8-9,13,15,18-19,22,24H,4-7,10-12H2,1-3H3,(H,23,25)/t18-,19-/m1/s1
InChIKeyIBJVYLFTKNLGNT-RTBURBONSA-N
MW344.50 g/mol
LogP3.44
Rot. Bonds5

About (3R)-N-[(2R)-1-cyclopentyl-3-methylbutan-2-yl]-7-hydroxy-8-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3R)-N-[(2R)-1-cyclopentyl-3-methylbutan-2-yl]-7-hydroxy-8-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 134355601) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is (3R)-N-[(2R)-1-cyclopentyl-3-methylbutan-2-yl]-7-hydroxy-8-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-1-cyclopentyl-3-methylbutan-2-yl]-7-hydroxy-8-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID134355601
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name(3R)-N-[(2R)-1-cyclopentyl-3-methylbutan-2-yl]-7-hydroxy-8-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCc1c(O)ccc2c1CN[C@@H](C(=O)N[C@H](CC1CCCC1)C(C)C)C2
InChIInChI=1S/C21H32N2O2/c1-13(2)18(10-15-6-4-5-7-15)23-21(25)19-11-16-8-9-20(24)14(3)17(16)12-22-19/h8-9,13,15,18-19,22,24H,4-7,10-12H2,1-3H3,(H,23,25)/t18-,19-/m1/s1
InChIKeyIBJVYLFTKNLGNT-RTBURBONSA-N
XLogP3.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[(2R)-1-cyclopentyl-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3,7-dicarboxamide
CID 153426389
(3R)-N-[(1R)-2-cyclohexyl-1-cyclopropylethyl]-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 134355603
N-[(2S)-3-methyl-1-(3-methylpiperidin-1-yl)butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 134347990
N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 65048853
2-cycloheptylacetaldehyde;(R)-N-(2-cycloheptylethylidene)-2-methylpropane-2-sulfinamide;(2R)-1-cycloheptyl-3-methylbutan-2-amine;(3R)-N-[(2R)-1-cycloheptyl-3-methylbutan-2-yl]-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(R)-N-[(2R)-1-cycloheptyl-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide;methane;hydrochloride
CID 158277632
(3R)-N-[(2S)-1-[(3R,4R)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 134355586
N-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62407046
N-(1-cyclohexylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119279812
(3R)-N-[1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-2-yl]-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 139433199
(3R)-N-[1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-2-yl]-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 134347874
methyl (3S)-7-hydroxy-8-iodo-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 139684443
(3R)-7-hydroxy-N-[(2S)-3-methyl-1-(4-thiophen-3-ylpiperidin-1-yl)butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 127052130

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-1-cyclopentyl-3-methylbutan-2-yl]-7-hydroxy-8-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-1-cyclopentyl-3-methylbutan-2-yl]-7-hydroxy-8-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 134355601) is (3R)-N-[(2R)-1-cyclopentyl-3-methylbutan-2-yl]-7-hydroxy-8-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-1-cyclopentyl-3-methylbutan-2-yl]-7-hydroxy-8-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-1-cyclopentyl-3-methylbutan-2-yl]-7-hydroxy-8-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is Cc1c(O)ccc2c1CN[C@@H](C(=O)N[C@H](CC1CCCC1)C(C)C)C2.
What is the InChIKey of (3R)-N-[(2R)-1-cyclopentyl-3-methylbutan-2-yl]-7-hydroxy-8-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is IBJVYLFTKNLGNT-RTBURBONSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-13(2)18(10-15-6-4-5-7-15)23-21(25)19-11-16-8-9-20(24)14(3)17(16)12-22-19/h8-9,13,15,18-19,22,24H,4-7,10-12H2,1-3H3,(H,23,25)/t18-,19-/m1/s1.
What are the key properties of (3R)-N-[(2R)-1-cyclopentyl-3-methylbutan-2-yl]-7-hydroxy-8-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N-[(2R)-1-cyclopentyl-3-methylbutan-2-yl]-7-hydroxy-8-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-1-cyclopentyl-3-methylbutan-2-yl]-7-hydroxy-8-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 134355601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).