3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide

C21H28N2O4 — CID 17472604

IUPAC3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide
SMILESCC1CC1c1ccc(CN(C)C(=O)CCN2C(=O)C3CCCCC3C2=O)o1
InChIInChI=1S/C21H28N2O4/c1-13-11-17(13)18-8-7-14(27-18)12-22(2)19(24)9-10-23-20(25)15-5-3-4-6-16(15)21(23)26/h7-8,13,15-17H,3-6,9-12H2,1-2H3
InChIKeyCRSABPCRCATHRB-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.93
Rot. Bonds6

About 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide

3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide (PubChem CID 17472604) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide
PubChem CID17472604
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide
SMILESCC1CC1c1ccc(CN(C)C(=O)CCN2C(=O)C3CCCCC3C2=O)o1
InChIInChI=1S/C21H28N2O4/c1-13-11-17(13)18-8-7-14(27-18)12-22(2)19(24)9-10-23-20(25)15-5-3-4-6-16(15)21(23)26/h7-8,13,15-17H,3-6,9-12H2,1-2H3
InChIKeyCRSABPCRCATHRB-UHFFFAOYSA-N
XLogP2.93
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentanamide
CID 79191839
3,3,3-trifluoro-N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide
CID 94001598
3,3,3-trifluoro-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide
CID 94001595
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpropanamide
CID 24682483
N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 60717848
2-amino-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide
CID 54869738
3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 2634483
(2R)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 124815201
2-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
CID 60697652
N,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxamide
CID 106739295
4-bromo-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
CID 60697653
2-hydroxyethyl N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamate
CID 79345361

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide?
The IUPAC name of 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide (CID 17472604) is 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide?
The canonical SMILES for 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide is CC1CC1c1ccc(CN(C)C(=O)CCN2C(=O)C3CCCCC3C2=O)o1.
What is the InChIKey of 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide?
The InChIKey is CRSABPCRCATHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-13-11-17(13)18-8-7-14(27-18)12-22(2)19(24)9-10-23-20(25)15-5-3-4-6-16(15)21(23)26/h7-8,13,15-17H,3-6,9-12H2,1-2H3.
What are the key properties of 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide?
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide has a molecular weight of 372.47 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide is sourced from PubChem (CID 17472604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).