N-(9-ethylcarbazol-3-yl)-1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-carboxamide

C27H27N3O3 — CID 10151399

IUPACN-(9-ethylcarbazol-3-yl)-1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C3CC(=O)N(CC(O)c4ccccc4)C3)ccc21
InChIInChI=1S/C27H27N3O3/c1-2-30-23-11-7-6-10-21(23)22-15-20(12-13-24(22)30)28-27(33)19-14-26(32)29(16-19)17-25(31)18-8-4-3-5-9-18/h3-13,15,19,25,31H,2,14,16-17H2,1H3,(H,28,33)
InChIKeyDAYAJPHIZWNGSX-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.34
Rot. Bonds6

About N-(9-ethylcarbazol-3-yl)-1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-carboxamide

N-(9-ethylcarbazol-3-yl)-1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 10151399) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID10151399
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC NameN-(9-ethylcarbazol-3-yl)-1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C3CC(=O)N(CC(O)c4ccccc4)C3)ccc21
InChIInChI=1S/C27H27N3O3/c1-2-30-23-11-7-6-10-21(23)22-15-20(12-13-24(22)30)28-27(33)19-14-26(32)29(16-19)17-25(31)18-8-4-3-5-9-18/h3-13,15,19,25,31H,2,14,16-17H2,1H3,(H,28,33)
InChIKeyDAYAJPHIZWNGSX-UHFFFAOYSA-N
XLogP4.34
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(9-ethylcarbazol-3-yl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 52909261
N-(9-ethylcarbazol-3-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 71898551
1-[2-(2,4-dimethoxyphenyl)ethyl]-N-(9-ethylcarbazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 174466279
N-[4-[(4,6-dimethylpyrimidin-2-yl)methylamino]phenyl]-1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-carboxamide
CID 22051524
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 4833132
1-acetyl-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide
CID 17127014
trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 2321929
1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46420018
N-(9-ethylcarbazol-3-yl)-4-methylidenepyrrolidine-2-carboxamide
CID 22223551
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
1-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907109
2-[(2,2-diphenylacetyl)amino]-N-(9-ethylcarbazol-3-yl)-3-phenylpropanamide
CID 4317269

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-carboxamide (CID 10151399) is N-(9-ethylcarbazol-3-yl)-1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-carboxamide is CCn1c2ccccc2c2cc(NC(=O)C3CC(=O)N(CC(O)c4ccccc4)C3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DAYAJPHIZWNGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-2-30-23-11-7-6-10-21(23)22-15-20(12-13-24(22)30)28-27(33)19-14-26(32)29(16-19)17-25(31)18-8-4-3-5-9-18/h3-13,15,19,25,31H,2,14,16-17H2,1H3,(H,28,33).
What are the key properties of N-(9-ethylcarbazol-3-yl)-1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-carboxamide?
N-(9-ethylcarbazol-3-yl)-1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 10151399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).