(1R)-2-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-oxo-1H-isoindole-1-carboxamide

C21H24N2O4 — CID 92730762

IUPAC(1R)-2-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-oxo-1H-isoindole-1-carboxamide
SMILESCCOc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)NCCOC)cc1
InChIInChI=1S/C21H24N2O4/c1-3-27-16-10-8-15(9-11-16)14-23-19(20(24)22-12-13-26-2)17-6-4-5-7-18(17)21(23)25/h4-11,19H,3,12-14H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyUEJZVQGISZSBJD-LJQANCHMSA-N
MW368.43 g/mol
LogP2.55
Rot. Bonds8

About (1R)-2-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-oxo-1H-isoindole-1-carboxamide

(1R)-2-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 92730762) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (1R)-2-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name(1R)-2-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-oxo-1H-isoindole-1-carboxamide
PubChem CID92730762
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(1R)-2-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-oxo-1H-isoindole-1-carboxamide
SMILESCCOc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)NCCOC)cc1
InChIInChI=1S/C21H24N2O4/c1-3-27-16-10-8-15(9-11-16)14-23-19(20(24)22-12-13-26-2)17-6-4-5-7-18(17)21(23)25/h4-11,19H,3,12-14H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyUEJZVQGISZSBJD-LJQANCHMSA-N
XLogP2.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-2-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide
CID 92714955
(1R)-N-(3-methoxypropyl)-2-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 92714956
N-cyclooctyl-2-[(4-ethoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 3585142
(1R)-N-(3-methylbutyl)-3-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-1H-isoindole-1-carboxamide
CID 92730722
(1R)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 92656066
2-[(3-ethoxyphenyl)methyl]-3-oxo-N-(pyridin-1-ium-3-ylmethyl)-1H-isoindole-1-carboxamide
CID 4099283
2-[(4-chlorophenyl)methyl]-3-(5-chloro-2-pyridinyl)-N-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 24803828
2-(furan-2-ylmethyl)-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide
CID 22585725
2-(4-ethoxyphenyl)-N-(3-methylbutyl)-3-oxo-1H-isoindole-1-carboxamide
CID 50808049
(1S)-N-(3-methoxypropyl)-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide
CID 92714959
3-oxo-N,2-dipropyl-1H-isoindole-1-carboxamide
CID 68771820
2-benzyl-3-(4-ethoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 22334809

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of (1R)-2-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-oxo-1H-isoindole-1-carboxamide (CID 92730762) is (1R)-2-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for (1R)-2-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for (1R)-2-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-oxo-1H-isoindole-1-carboxamide is CCOc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)NCCOC)cc1.
What is the InChIKey of (1R)-2-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is UEJZVQGISZSBJD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-27-16-10-8-15(9-11-16)14-23-19(20(24)22-12-13-26-2)17-6-4-5-7-18(17)21(23)25/h4-11,19H,3,12-14H2,1-2H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (1R)-2-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-oxo-1H-isoindole-1-carboxamide?
(1R)-2-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 92730762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).