1-ethyl-1-(4-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea

C21H25N3O3 — CID 43969498

IUPAC1-ethyl-1-(4-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCCN(C(=O)NC1CC(=O)N(c2ccc(C)cc2)C1)c1ccc(OC)cc1
InChIInChI=1S/C21H25N3O3/c1-4-23(17-9-11-19(27-3)12-10-17)21(26)22-16-13-20(25)24(14-16)18-7-5-15(2)6-8-18/h5-12,16H,4,13-14H2,1-3H3,(H,22,26)
InChIKeyHWXDFAYHDMYJQI-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.35
Rot. Bonds5

About 1-ethyl-1-(4-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea

1-ethyl-1-(4-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 43969498) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-ethyl-1-(4-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-ethyl-1-(4-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID43969498
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-ethyl-1-(4-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCCN(C(=O)NC1CC(=O)N(c2ccc(C)cc2)C1)c1ccc(OC)cc1
InChIInChI=1S/C21H25N3O3/c1-4-23(17-9-11-19(27-3)12-10-17)21(26)22-16-13-20(25)24(14-16)18-7-5-15(2)6-8-18/h5-12,16H,4,13-14H2,1-3H3,(H,22,26)
InChIKeyHWXDFAYHDMYJQI-UHFFFAOYSA-N
XLogP3.35
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-(4-methoxyphenyl)urea
CID 7548446
3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethyl-1-(4-methoxyphenyl)urea
CID 7546668
3-(4-methoxyphenyl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7255066
1-cyclohexyl-1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18572688
1-(4-methoxyphenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513873
1-butyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea
CID 7544783
3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea
CID 7513595
1-ethyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7244162
1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18572695
ethyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate
CID 43971015
3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-dimethylurea
CID 7545527
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971002

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(4-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-ethyl-1-(4-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea (CID 43969498) is 1-ethyl-1-(4-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-ethyl-1-(4-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-ethyl-1-(4-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea is CCN(C(=O)NC1CC(=O)N(c2ccc(C)cc2)C1)c1ccc(OC)cc1.
What is the InChIKey of 1-ethyl-1-(4-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is HWXDFAYHDMYJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-4-23(17-9-11-19(27-3)12-10-17)21(26)22-16-13-20(25)24(14-16)18-7-5-15(2)6-8-18/h5-12,16H,4,13-14H2,1-3H3,(H,22,26).
What are the key properties of 1-ethyl-1-(4-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
1-ethyl-1-(4-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 367.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(4-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 43969498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).