N-[4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide

C20H22N4O4 — CID 7545434

IUPACN-[4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
SMILESCOc1ccc(N2C[C@@H](NC(=O)Nc3ccc(NC(C)=O)cc3)CC2=O)cc1
InChIInChI=1S/C20H22N4O4/c1-13(25)21-14-3-5-15(6-4-14)22-20(27)23-16-11-19(26)24(12-16)17-7-9-18(28-2)10-8-17/h3-10,16H,11-12H2,1-2H3,(H,21,25)(H2,22,23,27)/t16-/m0/s1
InChIKeyLUDNONVXLRQFRS-INIZCTEOSA-N
MW382.42 g/mol
LogP2.58
Rot. Bonds5

About N-[4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide

N-[4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide (PubChem CID 7545434) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
PubChem CID7545434
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-[4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
SMILESCOc1ccc(N2C[C@@H](NC(=O)Nc3ccc(NC(C)=O)cc3)CC2=O)cc1
InChIInChI=1S/C20H22N4O4/c1-13(25)21-14-3-5-15(6-4-14)22-20(27)23-16-11-19(26)24(12-16)17-7-9-18(28-2)10-8-17/h3-10,16H,11-12H2,1-2H3,(H,21,25)(H2,22,23,27)/t16-/m0/s1
InChIKeyLUDNONVXLRQFRS-INIZCTEOSA-N
XLogP2.58
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide with MolForge

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Related Compounds

1-(4-methoxyphenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513873
1-(4-bromophenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564279
1-(4-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513465
methyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate
CID 43969881
methyl 4-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate
CID 7545296
1-(3,4-dichlorophenyl)-3-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7545335
1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)urea
CID 7244456
1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)urea
CID 7533363
1-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)urea
CID 43970743
1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)urea
CID 18564184
N-[4-[[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 7244467
1-(3-fluoro-4-methylphenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564287

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide (CID 7545434) is N-[4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide is COc1ccc(N2C[C@@H](NC(=O)Nc3ccc(NC(C)=O)cc3)CC2=O)cc1.
What is the InChIKey of N-[4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide?
The InChIKey is LUDNONVXLRQFRS-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-13(25)21-14-3-5-15(6-4-14)22-20(27)23-16-11-19(26)24(12-16)17-7-9-18(28-2)10-8-17/h3-10,16H,11-12H2,1-2H3,(H,21,25)(H2,22,23,27)/t16-/m0/s1.
What are the key properties of N-[4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide?
N-[4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide has a molecular weight of 382.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 7545434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).