4-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide

C20H22N4O4 — CID 7215443

IUPAC4-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide
SMILESCCOc1ccc(N2C[C@@H](NC(=O)Nc3ccc(C(N)=O)cc3)CC2=O)cc1
InChIInChI=1S/C20H22N4O4/c1-2-28-17-9-7-16(8-10-17)24-12-15(11-18(24)25)23-20(27)22-14-5-3-13(4-6-14)19(21)26/h3-10,15H,2,11-12H2,1H3,(H2,21,26)(H2,22,23,27)/t15-/m0/s1
InChIKeyAAYFRTQRNHBYQD-HNNXBMFYSA-N
MW382.42 g/mol
LogP2.11
Rot. Bonds6

About 4-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide

4-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide (PubChem CID 7215443) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide.

Molecular Properties

Compound Name4-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide
PubChem CID7215443
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name4-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide
SMILESCCOc1ccc(N2C[C@@H](NC(=O)Nc3ccc(C(N)=O)cc3)CC2=O)cc1
InChIInChI=1S/C20H22N4O4/c1-2-28-17-9-7-16(8-10-17)24-12-15(11-18(24)25)23-20(27)22-14-5-3-13(4-6-14)19(21)26/h3-10,15H,2,11-12H2,1H3,(H2,21,26)(H2,22,23,27)/t15-/m0/s1
InChIKeyAAYFRTQRNHBYQD-HNNXBMFYSA-N
XLogP2.11
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546577
1-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methylphenyl)urea
CID 7546263
4-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide
CID 7215951
4-ethoxy-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971041
ethyl 4-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate
CID 7548237
methyl 4-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate
CID 7545296
methyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate
CID 43969881
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-(2,3-dimethylphenyl)-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546445
N-[4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 7545434
3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-dimethylurea
CID 7545527

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide?
The IUPAC name of 4-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide (CID 7215443) is 4-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide.
What is the SMILES notation for 4-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide?
The canonical SMILES for 4-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide is CCOc1ccc(N2C[C@@H](NC(=O)Nc3ccc(C(N)=O)cc3)CC2=O)cc1.
What is the InChIKey of 4-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide?
The InChIKey is AAYFRTQRNHBYQD-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-2-28-17-9-7-16(8-10-17)24-12-15(11-18(24)25)23-20(27)22-14-5-3-13(4-6-14)19(21)26/h3-10,15H,2,11-12H2,1H3,(H2,21,26)(H2,22,23,27)/t15-/m0/s1.
What are the key properties of 4-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide?
4-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide has a molecular weight of 382.42 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide is sourced from PubChem (CID 7215443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).