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

C20H22N4O4 — CID 7544617

IUPACN-[3-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
SMILESCOc1cccc(N2C[C@H](NC(=O)Nc3cccc(NC(C)=O)c3)CC2=O)c1
InChIInChI=1S/C20H22N4O4/c1-13(25)21-14-5-3-6-15(9-14)22-20(27)23-16-10-19(26)24(12-16)17-7-4-8-18(11-17)28-2/h3-9,11,16H,10,12H2,1-2H3,(H,21,25)(H2,22,23,27)/t16-/m1/s1
InChIKeyBGIQMDNBXZMOFK-MRXNPFEDSA-N
MW382.42 g/mol
LogP2.58
Rot. Bonds5

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

N-[3-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide (PubChem CID 7544617) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[3-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
PubChem CID7544617
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-[3-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
SMILESCOc1cccc(N2C[C@H](NC(=O)Nc3cccc(NC(C)=O)c3)CC2=O)c1
InChIInChI=1S/C20H22N4O4/c1-13(25)21-14-5-3-6-15(9-14)22-20(27)23-16-10-19(26)24(12-16)17-7-4-8-18(11-17)28-2/h3-9,11,16H,10,12H2,1-2H3,(H,21,25)(H2,22,23,27)/t16-/m1/s1
InChIKeyBGIQMDNBXZMOFK-MRXNPFEDSA-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

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Related Compounds

N-[3-[[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 18564245
1-(3-methoxyphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513464
1-(3-fluorophenyl)-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544332
N-[3-[[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 7552572
1-(3,4-dimethoxyphenyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564233
N-[3-[(5-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
CID 18564099
1-(3,4-dimethylphenyl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544500
1-(4-fluorophenyl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544338
N-[3-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 43970217
1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 16819774
1-(2,5-dimethoxyphenyl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544528
N-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 7548375

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide (CID 7544617) is N-[3-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide is COc1cccc(N2C[C@H](NC(=O)Nc3cccc(NC(C)=O)c3)CC2=O)c1.
What is the InChIKey of N-[3-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide?
The InChIKey is BGIQMDNBXZMOFK-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-13(25)21-14-5-3-6-15(9-14)22-20(27)23-16-10-19(26)24(12-16)17-7-4-8-18(11-17)28-2/h3-9,11,16H,10,12H2,1-2H3,(H,21,25)(H2,22,23,27)/t16-/m1/s1.
What are the key properties of N-[3-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide?
N-[3-[[(3R)-1-(3-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-[3-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 7544617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).