N-cyclooctyl-2-[(3-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide

C25H30N2O3 — CID 3585145

IUPACN-cyclooctyl-2-[(3-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
SMILESCOc1cccc(CN2C(=O)c3ccccc3C2C(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C25H30N2O3/c1-30-20-13-9-10-18(16-20)17-27-23(21-14-7-8-15-22(21)25(27)29)24(28)26-19-11-5-3-2-4-6-12-19/h7-10,13-16,19,23H,2-6,11-12,17H2,1H3,(H,26,28)
InChIKeyNPTLQBDJVNQSKO-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.62
Rot. Bonds5

About N-cyclooctyl-2-[(3-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide

N-cyclooctyl-2-[(3-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 3585145) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-cyclooctyl-2-[(3-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[(3-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
PubChem CID3585145
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC NameN-cyclooctyl-2-[(3-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
SMILESCOc1cccc(CN2C(=O)c3ccccc3C2C(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C25H30N2O3/c1-30-20-13-9-10-18(16-20)17-27-23(21-14-7-8-15-22(21)25(27)29)24(28)26-19-11-5-3-2-4-6-12-19/h7-10,13-16,19,23H,2-6,11-12,17H2,1H3,(H,26,28)
InChIKeyNPTLQBDJVNQSKO-UHFFFAOYSA-N
XLogP4.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3585142
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CID 68771680
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CID 11840716
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 4252906
N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 3293225
2-[(3-ethoxyphenyl)methyl]-3-oxo-N-(pyridin-1-ium-3-ylmethyl)-1H-isoindole-1-carboxamide
CID 4099283
N-cyclohexyl-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 22195059
N-cycloheptyl-3-oxo-2-propan-2-yl-1H-isoindole-1-carboxamide
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N-cycloheptyl-3-oxo-2-(3-pyrrolidin-1-ium-1-ylpropyl)-1H-isoindole-1-carboxamide
CID 4063441
N-cycloheptyl-2-[2-(N-ethylanilino)ethyl]-3-oxo-1H-isoindole-1-carboxamide
CID 4550253
4-benzyl-N-cyclohexyl-5-oxo-2-phenyl-3H-1,4-benzodiazepine-3-carboxamide
CID 25257301

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[(3-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of N-cyclooctyl-2-[(3-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide (CID 3585145) is N-cyclooctyl-2-[(3-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-cyclooctyl-2-[(3-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for N-cyclooctyl-2-[(3-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide is COc1cccc(CN2C(=O)c3ccccc3C2C(=O)NC2CCCCCCC2)c1.
What is the InChIKey of N-cyclooctyl-2-[(3-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is NPTLQBDJVNQSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-30-20-13-9-10-18(16-20)17-27-23(21-14-7-8-15-22(21)25(27)29)24(28)26-19-11-5-3-2-4-6-12-19/h7-10,13-16,19,23H,2-6,11-12,17H2,1H3,(H,26,28).
What are the key properties of N-cyclooctyl-2-[(3-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide?
N-cyclooctyl-2-[(3-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[(3-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 3585145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).