N-[(1S,2R,3S,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

C20H28N2O2 — CID 10568303

IUPACN-[(1S,2R,3S,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)[C@@H]2NC(=O)N1CCc2ccccc2C1
InChIInChI=1S/C20H28N2O2/c1-19(2)15-8-10-20(19,3)17(23)16(15)21-18(24)22-11-9-13-6-4-5-7-14(13)12-22/h4-7,15-17,23H,8-12H2,1-3H3,(H,21,24)/t15-,16-,17-,20+/m1/s1
InChIKeyIZHLIJLPZQLHOQ-VIPLHTEESA-N
MW328.46 g/mol
LogP2.94
Rot. Bonds1

About N-[(1S,2R,3S,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-[(1S,2R,3S,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 10568303) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[(1S,2R,3S,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,3S,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID10568303
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-[(1S,2R,3S,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)[C@@H]2NC(=O)N1CCc2ccccc2C1
InChIInChI=1S/C20H28N2O2/c1-19(2)15-8-10-20(19,3)17(23)16(15)21-18(24)22-11-9-13-6-4-5-7-14(13)12-22/h4-7,15-17,23H,8-12H2,1-3H3,(H,21,24)/t15-,16-,17-,20+/m1/s1
InChIKeyIZHLIJLPZQLHOQ-VIPLHTEESA-N
XLogP2.94
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1S,2R,3S,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 138717990
N-[(3R)-1-(ethylcarbamoyl)pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97099923
N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 2942390
N-(cyanomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108864780
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108876913
N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 47048730
N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 3722367
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
CID 4729472
N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
CID 108505977
N-(5-methylhexan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 78833930
N-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86937485
N-[[1-(4-methylphenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 113213995

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,3S,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-[(1S,2R,3S,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 10568303) is N-[(1S,2R,3S,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-[(1S,2R,3S,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-[(1S,2R,3S,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)[C@@H]2NC(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-[(1S,2R,3S,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is IZHLIJLPZQLHOQ-VIPLHTEESA-N. The full InChI is InChI=1S/C20H28N2O2/c1-19(2)15-8-10-20(19,3)17(23)16(15)21-18(24)22-11-9-13-6-4-5-7-14(13)12-22/h4-7,15-17,23H,8-12H2,1-3H3,(H,21,24)/t15-,16-,17-,20+/m1/s1.
What are the key properties of N-[(1S,2R,3S,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-[(1S,2R,3S,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,3S,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 10568303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).