N-[(4-methoxyphenyl)methyl]-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide

C22H24N2O4 — CID 20855308

IUPACN-[(4-methoxyphenyl)methyl]-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccc3c2C(=O)N(CC2CCCO2)C3)cc1
InChIInChI=1S/C22H24N2O4/c1-27-17-9-7-15(8-10-17)12-23-21(25)19-6-2-4-16-13-24(22(26)20(16)19)14-18-5-3-11-28-18/h2,4,6-10,18H,3,5,11-14H2,1H3,(H,23,25)
InChIKeyLXGGUGMEZIRFMW-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.76
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide

N-[(4-methoxyphenyl)methyl]-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide (PubChem CID 20855308) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide
PubChem CID20855308
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccc3c2C(=O)N(CC2CCCO2)C3)cc1
InChIInChI=1S/C22H24N2O4/c1-27-17-9-7-15(8-10-17)12-23-21(25)19-6-2-4-16-13-24(22(26)20(16)19)14-18-5-3-11-28-18/h2,4,6-10,18H,3,5,11-14H2,1H3,(H,23,25)
InChIKeyLXGGUGMEZIRFMW-UHFFFAOYSA-N
XLogP2.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxybenzyl)phthalimide
CID 519849
5-(2-Methoxyphenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
CID 4988615
3-((1,3-Dioxoisoindolin-2-yl)methyl)-4-methoxybenzaldehyde
CID 818605
2-[2-(3-Methylphenoxy)ethyl]isoindole-1,3-dione
CID 973136
4-(3-fluoro-5-hydroxyphenyl)-6-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxy-2,3-dihydroisoindol-1-one
CID 164626051
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-methoxybenzyl)propanamide
CID 757368
2-butyl-N-(furan-2-ylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
CID 2667282
N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 2974655
3-methoxy-2-(4-methoxybenzyl)-2,3-dihydro-1H-isoindol-1-one
CID 3653878
2-ethyl-N-(2-furylmethyl)-1,3-dioxoisoindoline-5-carboxamide
CID 4367205
N-(furan-2-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
CID 664218
N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-propylisoindoline-4-carboxamide
CID 3237226

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide (CID 20855308) is N-[(4-methoxyphenyl)methyl]-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide is COc1ccc(CNC(=O)c2cccc3c2C(=O)N(CC2CCCO2)C3)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide?
The InChIKey is LXGGUGMEZIRFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-27-17-9-7-15(8-10-17)12-23-21(25)19-6-2-4-16-13-24(22(26)20(16)19)14-18-5-3-11-28-18/h2,4,6-10,18H,3,5,11-14H2,1H3,(H,23,25).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide is sourced from PubChem (CID 20855308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).