[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate

C29H29N3O4 — CID 4833132

IUPAC[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
SMILESCCn1c2ccccc2c2cc(NC(=O)COC(=O)C3CC(=O)N(CCc4ccccc4)C3)ccc21
InChIInChI=1S/C29H29N3O4/c1-2-32-25-11-7-6-10-23(25)24-17-22(12-13-26(24)32)30-27(33)19-36-29(35)21-16-28(34)31(18-21)15-14-20-8-4-3-5-9-20/h3-13,17,21H,2,14-16,18-19H2,1H3,(H,30,33)
InChIKeyKFVIUQZDBYHRNY-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.39
Rot. Bonds8

About [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate

[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate (PubChem CID 4833132) has the molecular formula C29H29N3O4 and a molecular weight of 483.57 g/mol. Its IUPAC name is [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
PubChem CID4833132
Molecular FormulaC29H29N3O4
Molecular Weight483.57 g/mol
Exact Mass483.22
IUPAC Name[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
SMILESCCn1c2ccccc2c2cc(NC(=O)COC(=O)C3CC(=O)N(CCc4ccccc4)C3)ccc21
InChIInChI=1S/C29H29N3O4/c1-2-32-25-11-7-6-10-23(25)24-17-22(12-13-26(24)32)30-27(33)19-36-29(35)21-16-28(34)31(18-21)15-14-20-8-4-3-5-9-20/h3-13,17,21H,2,14-16,18-19H2,1H3,(H,30,33)
InChIKeyKFVIUQZDBYHRNY-UHFFFAOYSA-N
XLogP4.39
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate with MolForge

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Related Compounds

[2-(4-acetylanilino)-2-oxoethyl] (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898719
[2-oxo-2-(4-propan-2-ylanilino)ethyl] (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898662
[2-oxo-2-(propan-2-ylamino)ethyl] (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898522
[2-(tert-butylamino)-2-oxoethyl] (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898524
[2-(benzylcarbamoylamino)-2-oxoethyl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898505
[2-(4-butylanilino)-2-oxoethyl] (3S)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 7729167
[2-(2-chloro-4-methylanilino)-2-oxoethyl] (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898688
(2-amino-2-oxoethyl) (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898644
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898498
[2-(4-acetamidoanilino)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 9067828
1-[2-(2,4-dimethoxyphenyl)ethyl]-N-(9-ethylcarbazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 174466279
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7873866

Frequently Asked Questions

What is the IUPAC name of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate?
The IUPAC name of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate (CID 4833132) is [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate?
The canonical SMILES for [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate is CCn1c2ccccc2c2cc(NC(=O)COC(=O)C3CC(=O)N(CCc4ccccc4)C3)ccc21.
What is the InChIKey of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate?
The InChIKey is KFVIUQZDBYHRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O4/c1-2-32-25-11-7-6-10-23(25)24-17-22(12-13-26(24)32)30-27(33)19-36-29(35)21-16-28(34)31(18-21)15-14-20-8-4-3-5-9-20/h3-13,17,21H,2,14-16,18-19H2,1H3,(H,30,33).
What are the key properties of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate?
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate has a molecular weight of 483.57 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 4833132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).