N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)azetidine-1-carboxamide

C19H25N3O2 — CID 138053388

IUPACN-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)azetidine-1-carboxamide
SMILESO=C(NCCC1CCc2ccccc21)N1CC(N2CCCC2=O)C1
InChIInChI=1S/C19H25N3O2/c23-18-6-3-11-22(18)16-12-21(13-16)19(24)20-10-9-15-8-7-14-4-1-2-5-17(14)15/h1-2,4-5,15-16H,3,6-13H2,(H,20,24)
InChIKeyYEFZBLGKQBAJFW-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.12
Rot. Bonds4

About N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)azetidine-1-carboxamide

N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)azetidine-1-carboxamide (PubChem CID 138053388) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)azetidine-1-carboxamide
PubChem CID138053388
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)azetidine-1-carboxamide
SMILESO=C(NCCC1CCc2ccccc21)N1CC(N2CCCC2=O)C1
InChIInChI=1S/C19H25N3O2/c23-18-6-3-11-22(18)16-12-21(13-16)19(24)20-10-9-15-8-7-14-4-1-2-5-17(14)15/h1-2,4-5,15-16H,3,6-13H2,(H,20,24)
InChIKeyYEFZBLGKQBAJFW-UHFFFAOYSA-N
XLogP2.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)azetidine-1-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)azetidine-1-carboxamide (CID 138053388) is N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)azetidine-1-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)azetidine-1-carboxamide is O=C(NCCC1CCc2ccccc21)N1CC(N2CCCC2=O)C1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)azetidine-1-carboxamide?
The InChIKey is YEFZBLGKQBAJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-18-6-3-11-22(18)16-12-21(13-16)19(24)20-10-9-15-8-7-14-4-1-2-5-17(14)15/h1-2,4-5,15-16H,3,6-13H2,(H,20,24).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)azetidine-1-carboxamide?
N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)azetidine-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)azetidine-1-carboxamide is sourced from PubChem (CID 138053388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).