2-methyl-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide

C21H22N2O4 — CID 46536752

IUPAC2-methyl-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide
SMILESCC(OCCCNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1
InChIInChI=1S/C21H22N2O4/c1-14(15-7-4-3-5-8-15)27-12-6-11-22-19(24)16-9-10-17-18(13-16)21(26)23(2)20(17)25/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,22,24)
InChIKeyUYGUXVYYAMAOBB-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.81
Rot. Bonds7

About 2-methyl-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide

2-methyl-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide (PubChem CID 46536752) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-methyl-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide
PubChem CID46536752
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2-methyl-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide
SMILESCC(OCCCNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1
InChIInChI=1S/C21H22N2O4/c1-14(15-7-4-3-5-8-15)27-12-6-11-22-19(24)16-9-10-17-18(13-16)21(26)23(2)20(17)25/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,22,24)
InChIKeyUYGUXVYYAMAOBB-UHFFFAOYSA-N
XLogP2.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenyl)-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide
CID 46557209
2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211222
2-benzyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 31306194
3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 46421326
4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
N-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 169211208
4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 119273569
N-[4-(4-fluorophenoxy)butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 32644974
3-methyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]phthalazine-1-carboxamide
CID 33235152
4-fluoro-N-[3-(1-phenylethoxy)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46596849
2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide
CID 42883825
2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 29128923

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide?
The IUPAC name of 2-methyl-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide (CID 46536752) is 2-methyl-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide.
What is the SMILES notation for 2-methyl-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide?
The canonical SMILES for 2-methyl-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide is CC(OCCCNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1.
What is the InChIKey of 2-methyl-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide?
The InChIKey is UYGUXVYYAMAOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14(15-7-4-3-5-8-15)27-12-6-11-22-19(24)16-9-10-17-18(13-16)21(26)23(2)20(17)25/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,22,24).
What are the key properties of 2-methyl-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide?
2-methyl-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide is sourced from PubChem (CID 46536752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).