N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide

C20H31N3O — CID 75390247

IUPACN-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide
SMILESCCN(C)CC1CCN(C(=O)NCCC2Cc3ccccc3C2)C1
InChIInChI=1S/C20H31N3O/c1-3-22(2)14-17-9-11-23(15-17)20(24)21-10-8-16-12-18-6-4-5-7-19(18)13-16/h4-7,16-17H,3,8-15H2,1-2H3,(H,21,24)
InChIKeyXTLRNCLBIIOZKD-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.77
Rot. Bonds6

About N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide

N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide (PubChem CID 75390247) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide
PubChem CID75390247
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide
SMILESCCN(C)CC1CCN(C(=O)NCCC2Cc3ccccc3C2)C1
InChIInChI=1S/C20H31N3O/c1-3-22(2)14-17-9-11-23(15-17)20(24)21-10-8-16-12-18-6-4-5-7-19(18)13-16/h4-7,16-17H,3,8-15H2,1-2H3,(H,21,24)
InChIKeyXTLRNCLBIIOZKD-UHFFFAOYSA-N
XLogP2.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.77
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-2-yl)ethyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide (CID 75390247) is N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide is CCN(C)CC1CCN(C(=O)NCCC2Cc3ccccc3C2)C1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide?
The InChIKey is XTLRNCLBIIOZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-3-22(2)14-17-9-11-23(15-17)20(24)21-10-8-16-12-18-6-4-5-7-19(18)13-16/h4-7,16-17H,3,8-15H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide?
N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 2.77, 6 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-2-yl)ethyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 75390247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).