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

C21H24N2O3 — CID 3239683

IUPACN-butan-2-yl-2-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
SMILESCCC(C)NC(=O)C1c2ccccc2C(=O)N1Cc1ccccc1OC
InChIInChI=1S/C21H24N2O3/c1-4-14(2)22-20(24)19-16-10-6-7-11-17(16)21(25)23(19)13-15-9-5-8-12-18(15)26-3/h5-12,14,19H,4,13H2,1-3H3,(H,22,24)
InChIKeyDUKYIVMUHZJJKU-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.31
Rot. Bonds6

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

N-butan-2-yl-2-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 3239683) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-butan-2-yl-2-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
PubChem CID3239683
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-butan-2-yl-2-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
SMILESCCC(C)NC(=O)C1c2ccccc2C(=O)N1Cc1ccccc1OC
InChIInChI=1S/C21H24N2O3/c1-4-14(2)22-20(24)19-16-10-6-7-11-17(16)21(25)23(19)13-15-9-5-8-12-18(15)26-3/h5-12,14,19H,4,13H2,1-3H3,(H,22,24)
InChIKeyDUKYIVMUHZJJKU-UHFFFAOYSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-2-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of N-butan-2-yl-2-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide (CID 3239683) is N-butan-2-yl-2-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for N-butan-2-yl-2-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide is CCC(C)NC(=O)C1c2ccccc2C(=O)N1Cc1ccccc1OC.
What is the InChIKey of N-butan-2-yl-2-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is DUKYIVMUHZJJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-4-14(2)22-20(24)19-16-10-6-7-11-17(16)21(25)23(19)13-15-9-5-8-12-18(15)26-3/h5-12,14,19H,4,13H2,1-3H3,(H,22,24).
What are the key properties of N-butan-2-yl-2-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide?
N-butan-2-yl-2-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 3239683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).