N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]pyrrolidine-1-carboxamide

C17H21N3O4 — CID 108873670

IUPACN-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]pyrrolidine-1-carboxamide
SMILESCOCCCN1C(=O)c2ccc(NC(=O)N3CCCC3)cc2C1=O
InChIInChI=1S/C17H21N3O4/c1-24-10-4-9-20-15(21)13-6-5-12(11-14(13)16(20)22)18-17(23)19-7-2-3-8-19/h5-6,11H,2-4,7-10H2,1H3,(H,18,23)
InChIKeyKPBFMTXDDNEBGB-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.95
Rot. Bonds5

About N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]pyrrolidine-1-carboxamide

N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 108873670) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]pyrrolidine-1-carboxamide
PubChem CID108873670
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]pyrrolidine-1-carboxamide
SMILESCOCCCN1C(=O)c2ccc(NC(=O)N3CCCC3)cc2C1=O
InChIInChI=1S/C17H21N3O4/c1-24-10-4-9-20-15(21)13-6-5-12(11-14(13)16(20)22)18-17(23)19-7-2-3-8-19/h5-6,11H,2-4,7-10H2,1H3,(H,18,23)
InChIKeyKPBFMTXDDNEBGB-UHFFFAOYSA-N
XLogP1.95
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.95
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

N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]azepane-1-carboxamide
CID 108873671
1-N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]piperidine-1,4-dicarboxamide
CID 108873799
N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2,6-dimethylpiperidine-1-carboxamide
CID 108873703
N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108873569
N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108873784
2-[[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]carbamoylamino]propanoic acid
CID 108873596
2-(3-methoxypropyl)-5-[4-(pyridine-4-carbonyl)-1,4-diazepane-1-carbonyl]isoindole-1,3-dione
CID 108545927
1-(2-methoxyphenyl)-3-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108873532
1-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108873546
1-(2,2-diethoxyethyl)-3-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108873877
1-[2-(4-hydroxyphenyl)ethyl]-3-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108873554
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxylate
CID 55309184

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]pyrrolidine-1-carboxamide (CID 108873670) is N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]pyrrolidine-1-carboxamide is COCCCN1C(=O)c2ccc(NC(=O)N3CCCC3)cc2C1=O.
What is the InChIKey of N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is KPBFMTXDDNEBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-24-10-4-9-20-15(21)13-6-5-12(11-14(13)16(20)22)18-17(23)19-7-2-3-8-19/h5-6,11H,2-4,7-10H2,1H3,(H,18,23).
What are the key properties of N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]pyrrolidine-1-carboxamide?
N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 108873670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).