[(4R)-4-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]pentyl]-diethylazanium

C22H37N4O3+ — CID 7546029

IUPAC[(4R)-4-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]pentyl]-diethylazanium
SMILESCCOc1ccc(N2C[C@H](NC(=O)N[C@H](C)CCC[NH+](CC)CC)CC2=O)cc1
InChIInChI=1S/C22H36N4O3/c1-5-25(6-2)14-8-9-17(4)23-22(28)24-18-15-21(27)26(16-18)19-10-12-20(13-11-19)29-7-3/h10-13,17-18H,5-9,14-16H2,1-4H3,(H2,23,24,28)/p+1/t17-,18-/m1/s1
InChIKeyVGQMPLCMUPIGGQ-QZTJIDSGSA-O
MW405.56 g/mol
LogP1.58
Rot. Bonds11

About [(4R)-4-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]pentyl]-diethylazanium

[(4R)-4-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]pentyl]-diethylazanium (PubChem CID 7546029) has the molecular formula C22H37N4O3+ and a molecular weight of 405.56 g/mol. Its IUPAC name is [(4R)-4-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]pentyl]-diethylazanium.

Molecular Properties

Compound Name[(4R)-4-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]pentyl]-diethylazanium
PubChem CID7546029
Molecular FormulaC22H37N4O3+
Molecular Weight405.56 g/mol
Exact Mass405.29
IUPAC Name[(4R)-4-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]pentyl]-diethylazanium
SMILESCCOc1ccc(N2C[C@H](NC(=O)N[C@H](C)CCC[NH+](CC)CC)CC2=O)cc1
InChIInChI=1S/C22H36N4O3/c1-5-25(6-2)14-8-9-17(4)23-22(28)24-18-15-21(27)26(16-18)19-10-12-20(13-11-19)29-7-3/h10-13,17-18H,5-9,14-16H2,1-4H3,(H2,23,24,28)/p+1/t17-,18-/m1/s1
InChIKeyVGQMPLCMUPIGGQ-QZTJIDSGSA-O
XLogP1.58
TPSA75.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.56
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(4R)-4-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]pentyl]-diethylazanium with MolForge

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Related Compounds

diethyl-[(4R)-4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]pentyl]azanium
CID 7545103
1-[(2S)-butan-2-yl]-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7545865
1-[(2R)-5-(diethylamino)pentan-2-yl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546039
1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea
CID 7545857
2-chloro-N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548875
2-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7548879
1-[5-(diethylamino)pentan-2-yl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969867
methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 43971090
1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-hydroxyethyl)urea
CID 43969976
1-(2,2-dimethoxyethyl)-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7545984
4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971041
3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-dimethylurea
CID 7545527

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]pentyl]-diethylazanium?
The IUPAC name of [(4R)-4-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]pentyl]-diethylazanium (CID 7546029) is [(4R)-4-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]pentyl]-diethylazanium.
What is the SMILES notation for [(4R)-4-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]pentyl]-diethylazanium?
The canonical SMILES for [(4R)-4-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]pentyl]-diethylazanium is CCOc1ccc(N2C[C@H](NC(=O)N[C@H](C)CCC[NH+](CC)CC)CC2=O)cc1.
What is the InChIKey of [(4R)-4-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]pentyl]-diethylazanium?
The InChIKey is VGQMPLCMUPIGGQ-QZTJIDSGSA-O. The full InChI is InChI=1S/C22H36N4O3/c1-5-25(6-2)14-8-9-17(4)23-22(28)24-18-15-21(27)26(16-18)19-10-12-20(13-11-19)29-7-3/h10-13,17-18H,5-9,14-16H2,1-4H3,(H2,23,24,28)/p+1/t17-,18-/m1/s1.
What are the key properties of [(4R)-4-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]pentyl]-diethylazanium?
[(4R)-4-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]pentyl]-diethylazanium has a molecular weight of 405.56 g/mol, XLogP of 1.58, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]pentyl]-diethylazanium is sourced from PubChem (CID 7546029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).