N-[(2R,6R)-2,6-dimethyloxan-4-yl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

C18H26N2O3 — CID 97349930

IUPACN-[(2R,6R)-2,6-dimethyloxan-4-yl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cccc2c1CCN(C(=O)NC1C[C@@H](C)O[C@H](C)C1)C2
InChIInChI=1S/C18H26N2O3/c1-12-9-15(10-13(2)23-12)19-18(21)20-8-7-16-14(11-20)5-4-6-17(16)22-3/h4-6,12-13,15H,7-11H2,1-3H3,(H,19,21)/t12-,13-/m1/s1
InChIKeyXVMUJJHYMNBCMP-CHWSQXEVSA-N
MW318.42 g/mol
LogP2.72
Rot. Bonds2

About N-[(2R,6R)-2,6-dimethyloxan-4-yl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-[(2R,6R)-2,6-dimethyloxan-4-yl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 97349930) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(2R,6R)-2,6-dimethyloxan-4-yl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2R,6R)-2,6-dimethyloxan-4-yl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID97349930
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(2R,6R)-2,6-dimethyloxan-4-yl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cccc2c1CCN(C(=O)NC1C[C@@H](C)O[C@H](C)C1)C2
InChIInChI=1S/C18H26N2O3/c1-12-9-15(10-13(2)23-12)19-18(21)20-8-7-16-14(11-20)5-4-6-17(16)22-3/h4-6,12-13,15H,7-11H2,1-3H3,(H,19,21)/t12-,13-/m1/s1
InChIKeyXVMUJJHYMNBCMP-CHWSQXEVSA-N
XLogP2.72
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2R,6R)-2,6-dimethyloxan-4-yl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

8-methoxy-N-spiro[2.5]octan-6-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 154746108
6-methoxy-N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 124733276
1-(4-methoxy-1,3-dihydroisoindol-2-yl)ethanone
CID 20754713
2-[ethyl-[3-[(5-methoxycarbonyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122026384
4-[(5-methoxycarbonyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024527
(E)-1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylprop-2-en-1-one
CID 154860830
N-[(5-cyano-2-fluorophenyl)methyl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 75502037
N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-4-methoxy-1,3-dihydroisoindole-2-carboxamide
CID 132971702
5-methoxy-N-[2-(3-methyl-4-pyridinyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 75519799
N-[(1R)-1-cyclopropyl-2-methoxyethyl]-6-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 99841570
5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine
CID 89009600
(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 136522334

Frequently Asked Questions

What is the IUPAC name of N-[(2R,6R)-2,6-dimethyloxan-4-yl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-[(2R,6R)-2,6-dimethyloxan-4-yl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 97349930) is N-[(2R,6R)-2,6-dimethyloxan-4-yl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-[(2R,6R)-2,6-dimethyloxan-4-yl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-[(2R,6R)-2,6-dimethyloxan-4-yl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide is COc1cccc2c1CCN(C(=O)NC1C[C@@H](C)O[C@H](C)C1)C2.
What is the InChIKey of N-[(2R,6R)-2,6-dimethyloxan-4-yl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is XVMUJJHYMNBCMP-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12-9-15(10-13(2)23-12)19-18(21)20-8-7-16-14(11-20)5-4-6-17(16)22-3/h4-6,12-13,15H,7-11H2,1-3H3,(H,19,21)/t12-,13-/m1/s1.
What are the key properties of N-[(2R,6R)-2,6-dimethyloxan-4-yl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-[(2R,6R)-2,6-dimethyloxan-4-yl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,6R)-2,6-dimethyloxan-4-yl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 97349930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).