(2R)-1-(4-methoxy-1H-indole-2-carbonyl)-4,4-dimethyl-N-[1-(methylamino)-2-(2-oxopyrrolidin-3-yl)ethyl]pyrrolidine-2-carboxamide

About (2R)-1-(4-methoxy-1H-indole-2-carbonyl)-4,4-dimethyl-N-[1-(methylamino)-2-(2-oxopyrrolidin-3-yl)ethyl]pyrrolidine-2-carboxamide

(2R)-1-(4-methoxy-1H-indole-2-carbonyl)-4,4-dimethyl-N-[1-(methylamino)-2-(2-oxopyrrolidin-3-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 166840099) has the molecular formula C24H33N5O4 and a molecular weight of 455.56 g/mol. Its IUPAC name is (2R)-1-(4-methoxy-1H-indole-2-carbonyl)-4,4-dimethyl-N-[1-(methylamino)-2-(2-oxopyrrolidin-3-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name	(2R)-1-(4-methoxy-1H-indole-2-carbonyl)-4,4-dimethyl-N-[1-(methylamino)-2-(2-oxopyrrolidin-3-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID	166840099
Molecular Formula	C24H33N5O4
Molecular Weight	455.56 g/mol
Exact Mass	455.25
IUPAC Name	(2R)-1-(4-methoxy-1H-indole-2-carbonyl)-4,4-dimethyl-N-[1-(methylamino)-2-(2-oxopyrrolidin-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILES	CNC(CC1CCNC1=O)NC(=O)[C@H]1CC(C)(C)CN1C(=O)c1cc2c(OC)cccc2[nH]1
InChI	InChI=1S/C24H33N5O4/c1-24(2)12-18(22(31)28-20(25-3)10-14-8-9-26-21(14)30)29(13-24)23(32)17-11-15-16(27-17)6-5-7-19(15)33-4/h5-7,11,14,18,20,25,27H,8-10,12-13H2,1-4H3,(H,26,30)(H,28,31)/t14?,18-,20?/m1/s1
InChIKey	RQYYVMSYNWAAAQ-RPLTXICNSA-N
XLogP	1.61
TPSA	115.56 Å²
H-Bond Donors	4
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.56
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methoxy-1H-indole-2-carbonyl)-4,4-dimethyl-N-[1-(methylamino)-2-(2-oxopyrrolidin-3-yl)ethyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2R)-1-(4-methoxy-1H-indole-2-carbonyl)-4,4-dimethyl-N-[1-(methylamino)-2-(2-oxopyrrolidin-3-yl)ethyl]pyrrolidine-2-carboxamide (CID 166840099) is (2R)-1-(4-methoxy-1H-indole-2-carbonyl)-4,4-dimethyl-N-[1-(methylamino)-2-(2-oxopyrrolidin-3-yl)ethyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2R)-1-(4-methoxy-1H-indole-2-carbonyl)-4,4-dimethyl-N-[1-(methylamino)-2-(2-oxopyrrolidin-3-yl)ethyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2R)-1-(4-methoxy-1H-indole-2-carbonyl)-4,4-dimethyl-N-[1-(methylamino)-2-(2-oxopyrrolidin-3-yl)ethyl]pyrrolidine-2-carboxamide is CNC(CC1CCNC1=O)NC(=O)[C@H]1CC(C)(C)CN1C(=O)c1cc2c(OC)cccc2[nH]1.

What is the InChIKey of (2R)-1-(4-methoxy-1H-indole-2-carbonyl)-4,4-dimethyl-N-[1-(methylamino)-2-(2-oxopyrrolidin-3-yl)ethyl]pyrrolidine-2-carboxamide?

The InChIKey is RQYYVMSYNWAAAQ-RPLTXICNSA-N. The full InChI is InChI=1S/C24H33N5O4/c1-24(2)12-18(22(31)28-20(25-3)10-14-8-9-26-21(14)30)29(13-24)23(32)17-11-15-16(27-17)6-5-7-19(15)33-4/h5-7,11,14,18,20,25,27H,8-10,12-13H2,1-4H3,(H,26,30)(H,28,31)/t14?,18-,20?/m1/s1.

What are the key properties of (2R)-1-(4-methoxy-1H-indole-2-carbonyl)-4,4-dimethyl-N-[1-(methylamino)-2-(2-oxopyrrolidin-3-yl)ethyl]pyrrolidine-2-carboxamide?

(2R)-1-(4-methoxy-1H-indole-2-carbonyl)-4,4-dimethyl-N-[1-(methylamino)-2-(2-oxopyrrolidin-3-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 1.61, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(4-methoxy-1H-indole-2-carbonyl)-4,4-dimethyl-N-[1-(methylamino)-2-(2-oxopyrrolidin-3-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 166840099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).