1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea

C16H23N3O3 — CID 7215063

IUPAC1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)N[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1
InChIInChI=1S/C16H23N3O3/c1-11-4-5-14(8-12(11)2)19-10-13(9-15(19)20)18-16(21)17-6-7-22-3/h4-5,8,13H,6-7,9-10H2,1-3H3,(H2,17,18,21)/t13-/m1/s1
InChIKeyFXDCUDVAEJUPCA-CYBMUJFWSA-N
MW305.38 g/mol
LogP1.35
Rot. Bonds5

About 1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea

1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea (PubChem CID 7215063) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea
PubChem CID7215063
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)N[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1
InChIInChI=1S/C16H23N3O3/c1-11-4-5-14(8-12(11)2)19-10-13(9-15(19)20)18-16(21)17-6-7-22-3/h4-5,8,13H,6-7,9-10H2,1-3H3,(H2,17,18,21)/t13-/m1/s1
InChIKeyFXDCUDVAEJUPCA-CYBMUJFWSA-N
XLogP1.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloroethyl)-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969553
1-butyl-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969554
1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-pentylurea
CID 7543385
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea
CID 7543097
1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea
CID 7543099
1-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea
CID 43969973
methyl N-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]carbamate
CID 7543831
1-(2,2-diethoxyethyl)-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543184
1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(dipropylamino)propyl]urea
CID 43969662
1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[(4-fluorophenyl)methyl]urea
CID 7543292
1-[(4-chlorophenyl)methyl]-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543334
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 7543094

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea (CID 7215063) is 1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea is COCCNC(=O)N[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1.
What is the InChIKey of 1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea?
The InChIKey is FXDCUDVAEJUPCA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-4-5-14(8-12(11)2)19-10-13(9-15(19)20)18-16(21)17-6-7-22-3/h4-5,8,13H,6-7,9-10H2,1-3H3,(H2,17,18,21)/t13-/m1/s1.
What are the key properties of 1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea?
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea has a molecular weight of 305.38 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 7215063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).