1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea

C20H23N3O4 — CID 38169678

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCOc1ccc(CNC(=O)Nc2cccc(N3CCCC3=O)c2)cc1OC
InChIInChI=1S/C20H23N3O4/c1-26-17-9-8-14(11-18(17)27-2)13-21-20(25)22-15-5-3-6-16(12-15)23-10-4-7-19(23)24/h3,5-6,8-9,11-12H,4,7,10,13H2,1-2H3,(H2,21,22,25)
InChIKeyGLWWXIICYDIBJZ-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.15
Rot. Bonds6

About 1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea

1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 38169678) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
PubChem CID38169678
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCOc1ccc(CNC(=O)Nc2cccc(N3CCCC3=O)c2)cc1OC
InChIInChI=1S/C20H23N3O4/c1-26-17-9-8-14(11-18(17)27-2)13-21-20(25)22-15-5-3-6-16(12-15)23-10-4-7-19(23)24/h3,5-6,8-9,11-12H,4,7,10,13H2,1-2H3,(H2,21,22,25)
InChIKeyGLWWXIICYDIBJZ-UHFFFAOYSA-N
XLogP3.15
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea with MolForge

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
CID 34700461
1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169682
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea
CID 100683608
3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687664
1-(2-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 27870009
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 95967526
1-(6-methoxy-3-pyridinyl)-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 51116438
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 134056865
N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 38167581
2-(3,4-dimethoxy-N-methylanilino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 47078142
2-(3,4-dimethoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686452
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 55820823

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea (CID 38169678) is 1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea is COc1ccc(CNC(=O)Nc2cccc(N3CCCC3=O)c2)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea?
The InChIKey is GLWWXIICYDIBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-26-17-9-8-14(11-18(17)27-2)13-21-20(25)22-15-5-3-6-16(12-15)23-10-4-7-19(23)24/h3,5-6,8-9,11-12H,4,7,10,13H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea?
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 369.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 38169678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).