N-(3-chlorophenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-3-yl]acetamide

C26H32ClN3O3 — CID 52918017

IUPACN-(3-chlorophenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-3-yl]acetamide
SMILESCOc1ccc([C@H]2CN(CCCN3CCCC3=O)C[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C26H32ClN3O3/c1-33-23-10-8-19(9-11-23)24-18-29(12-4-14-30-13-3-7-26(30)32)17-20(24)15-25(31)28-22-6-2-5-21(27)16-22/h2,5-6,8-11,16,20,24H,3-4,7,12-15,17-18H2,1H3,(H,28,31)/t20-,24+/m0/s1
InChIKeyLXUYAULCTIKKQB-GBXCKJPGSA-N
MW470.01 g/mol
LogP4.41
Rot. Bonds9

About N-(3-chlorophenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-3-yl]acetamide

N-(3-chlorophenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-3-yl]acetamide (PubChem CID 52918017) has the molecular formula C26H32ClN3O3 and a molecular weight of 470.01 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-3-yl]acetamide
PubChem CID52918017
Molecular FormulaC26H32ClN3O3
Molecular Weight470.01 g/mol
Exact Mass469.21
IUPAC NameN-(3-chlorophenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-3-yl]acetamide
SMILESCOc1ccc([C@H]2CN(CCCN3CCCC3=O)C[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C26H32ClN3O3/c1-33-23-10-8-19(9-11-23)24-18-29(12-4-14-30-13-3-7-26(30)32)17-20(24)15-25(31)28-22-6-2-5-21(27)16-22/h2,5-6,8-11,16,20,24H,3-4,7,12-15,17-18H2,1H3,(H,28,31)/t20-,24+/m0/s1
InChIKeyLXUYAULCTIKKQB-GBXCKJPGSA-N
XLogP4.41
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.01
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-3-yl]acetamide (CID 52918017) is N-(3-chlorophenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-3-yl]acetamide is COc1ccc([C@H]2CN(CCCN3CCCC3=O)C[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-3-yl]acetamide?
The InChIKey is LXUYAULCTIKKQB-GBXCKJPGSA-N. The full InChI is InChI=1S/C26H32ClN3O3/c1-33-23-10-8-19(9-11-23)24-18-29(12-4-14-30-13-3-7-26(30)32)17-20(24)15-25(31)28-22-6-2-5-21(27)16-22/h2,5-6,8-11,16,20,24H,3-4,7,12-15,17-18H2,1H3,(H,28,31)/t20-,24+/m0/s1.
What are the key properties of N-(3-chlorophenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-3-yl]acetamide?
N-(3-chlorophenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-3-yl]acetamide has a molecular weight of 470.01 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 52918017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).