(1R)-2-benzyl-1-hydroxy-5,7-dimethoxy-N,N-dimethyl-3-oxoisoindole-1-carboxamide

C20H22N2O5 — CID 94044340

IUPAC(1R)-2-benzyl-1-hydroxy-5,7-dimethoxy-N,N-dimethyl-3-oxoisoindole-1-carboxamide
SMILESCOc1cc(OC)c2c(c1)C(=O)N(Cc1ccccc1)[C@]2(O)C(=O)N(C)C
InChIInChI=1S/C20H22N2O5/c1-21(2)19(24)20(25)17-15(10-14(26-3)11-16(17)27-4)18(23)22(20)12-13-8-6-5-7-9-13/h5-11,25H,12H2,1-4H3/t20-/m1/s1
InChIKeyQKOXLXVEVWKYDU-HXUWFJFHSA-N
MW370.41 g/mol
LogP1.59
Rot. Bonds5

About (1R)-2-benzyl-1-hydroxy-5,7-dimethoxy-N,N-dimethyl-3-oxoisoindole-1-carboxamide

(1R)-2-benzyl-1-hydroxy-5,7-dimethoxy-N,N-dimethyl-3-oxoisoindole-1-carboxamide (PubChem CID 94044340) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is (1R)-2-benzyl-1-hydroxy-5,7-dimethoxy-N,N-dimethyl-3-oxoisoindole-1-carboxamide.

Molecular Properties

Compound Name(1R)-2-benzyl-1-hydroxy-5,7-dimethoxy-N,N-dimethyl-3-oxoisoindole-1-carboxamide
PubChem CID94044340
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name(1R)-2-benzyl-1-hydroxy-5,7-dimethoxy-N,N-dimethyl-3-oxoisoindole-1-carboxamide
SMILESCOc1cc(OC)c2c(c1)C(=O)N(Cc1ccccc1)[C@]2(O)C(=O)N(C)C
InChIInChI=1S/C20H22N2O5/c1-21(2)19(24)20(25)17-15(10-14(26-3)11-16(17)27-4)18(23)22(20)12-13-8-6-5-7-9-13/h5-11,25H,12H2,1-4H3/t20-/m1/s1
InChIKeyQKOXLXVEVWKYDU-HXUWFJFHSA-N
XLogP1.59
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 3661659
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1-benzyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 3599962
(1aR,7bR)-5-methoxy-2-[(4-methoxyphenyl)methyl]-1a-(3-phenylpropyl)-1,7b-dihydrocyclopropa[c]isoquinolin-3-one
CID 132604775
(4Z)-1-benzyl-5-(2,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 5290910
ethyl 1,2-dibenzyl-5-methoxy-3-oxoindole-2-carboxylate
CID 142713011
methyl 7-methoxy-1,3-dioxo-2-phenylmethoxy-4H-isoquinoline-4-carboxylate
CID 67984682
1-benzyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 5143683
2-benzyl-2-hydroxy-5,7-dimethoxy-3H-chromen-4-one
CID 10914018
4-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155873379
1-benzyl-4,6-dimethoxy-1'-(trifluoromethylsulfonyl)spiro[indole-3,4'-pyridine]-2-one
CID 102473525
(3S,4S)-3-(2-hydroxy-3-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 92692946

Frequently Asked Questions

What is the IUPAC name of (1R)-2-benzyl-1-hydroxy-5,7-dimethoxy-N,N-dimethyl-3-oxoisoindole-1-carboxamide?
The IUPAC name of (1R)-2-benzyl-1-hydroxy-5,7-dimethoxy-N,N-dimethyl-3-oxoisoindole-1-carboxamide (CID 94044340) is (1R)-2-benzyl-1-hydroxy-5,7-dimethoxy-N,N-dimethyl-3-oxoisoindole-1-carboxamide.
What is the SMILES notation for (1R)-2-benzyl-1-hydroxy-5,7-dimethoxy-N,N-dimethyl-3-oxoisoindole-1-carboxamide?
The canonical SMILES for (1R)-2-benzyl-1-hydroxy-5,7-dimethoxy-N,N-dimethyl-3-oxoisoindole-1-carboxamide is COc1cc(OC)c2c(c1)C(=O)N(Cc1ccccc1)[C@]2(O)C(=O)N(C)C.
What is the InChIKey of (1R)-2-benzyl-1-hydroxy-5,7-dimethoxy-N,N-dimethyl-3-oxoisoindole-1-carboxamide?
The InChIKey is QKOXLXVEVWKYDU-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-21(2)19(24)20(25)17-15(10-14(26-3)11-16(17)27-4)18(23)22(20)12-13-8-6-5-7-9-13/h5-11,25H,12H2,1-4H3/t20-/m1/s1.
What are the key properties of (1R)-2-benzyl-1-hydroxy-5,7-dimethoxy-N,N-dimethyl-3-oxoisoindole-1-carboxamide?
(1R)-2-benzyl-1-hydroxy-5,7-dimethoxy-N,N-dimethyl-3-oxoisoindole-1-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-benzyl-1-hydroxy-5,7-dimethoxy-N,N-dimethyl-3-oxoisoindole-1-carboxamide is sourced from PubChem (CID 94044340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).