N-cycloheptyl-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide

C19H26N2O3 — CID 3242240

IUPACN-cycloheptyl-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)NC3CCCCCC3)c2C1=O
InChIInChI=1S/C19H26N2O3/c1-24-12-11-21-13-14-7-6-10-16(17(14)19(21)23)18(22)20-15-8-4-2-3-5-9-15/h6-7,10,15H,2-5,8-9,11-13H2,1H3,(H,20,22)
InChIKeyXRULWVRKNKGXKL-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.74
Rot. Bonds5

About N-cycloheptyl-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide

N-cycloheptyl-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 3242240) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-cycloheptyl-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID3242240
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-cycloheptyl-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)NC3CCCCCC3)c2C1=O
InChIInChI=1S/C19H26N2O3/c1-24-12-11-21-13-14-7-6-10-16(17(14)19(21)23)18(22)20-15-8-4-2-3-5-9-15/h6-7,10,15H,2-5,8-9,11-13H2,1H3,(H,20,22)
InChIKeyXRULWVRKNKGXKL-UHFFFAOYSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxamide
CID 122175076
N-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 3238535
2-(2-methoxyethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide
CID 5308909
ethyl (3R)-3-[[2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carbonyl]amino]-3-(4-methylphenyl)propanoate
CID 92661379
methyl 4-[2-(cyclooctylcarbamoyl)anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168561129
N-cyclooctyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-methoxyethyl)-4-oxopyridine-3-carboxamide
CID 26281992
N-(1-benzylpiperidin-4-yl)-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide
CID 122175074
N-cyclohexyl-4-hydroxy-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
CID 67104862
5-amino-N-cyclopentyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 82212613
2-[1-(2-methoxyethyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
CID 67194062
3-oxo-2-propyl-1H-isoindole-4-carboxamide
CID 3238600
3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide
CID 42482348

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of N-cycloheptyl-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide (CID 3242240) is N-cycloheptyl-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide is COCCN1Cc2cccc(C(=O)NC3CCCCCC3)c2C1=O.
What is the InChIKey of N-cycloheptyl-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is XRULWVRKNKGXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-24-12-11-21-13-14-7-6-10-16(17(14)19(21)23)18(22)20-15-8-4-2-3-5-9-15/h6-7,10,15H,2-5,8-9,11-13H2,1H3,(H,20,22).
What are the key properties of N-cycloheptyl-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
N-cycloheptyl-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 3242240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).