1-(2-amino-5-methylphenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea

C16H24N4O2 — CID 108876310

IUPAC1-(2-amino-5-methylphenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea
SMILESCc1ccc(N)c(NC(=O)NC2CC(=O)N(C(C)(C)C)C2)c1
InChIInChI=1S/C16H24N4O2/c1-10-5-6-12(17)13(7-10)19-15(22)18-11-8-14(21)20(9-11)16(2,3)4/h5-7,11H,8-9,17H2,1-4H3,(H2,18,19,22)
InChIKeySTKJWGBUBJQDNW-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.10
Rot. Bonds2

About 1-(2-amino-5-methylphenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea

1-(2-amino-5-methylphenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea (PubChem CID 108876310) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(2-amino-5-methylphenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(2-amino-5-methylphenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea
PubChem CID108876310
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-(2-amino-5-methylphenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea
SMILESCc1ccc(N)c(NC(=O)NC2CC(=O)N(C(C)(C)C)C2)c1
InChIInChI=1S/C16H24N4O2/c1-10-5-6-12(17)13(7-10)19-15(22)18-11-8-14(21)20(9-11)16(2,3)4/h5-7,11H,8-9,17H2,1-4H3,(H2,18,19,22)
InChIKeySTKJWGBUBJQDNW-UHFFFAOYSA-N
XLogP2.10
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-amino-5-methylphenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-amino-3-chlorophenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea
CID 108876118
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea
CID 108876025
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-methylphenyl)acetamide
CID 110736936
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(3,4-dimethoxyphenyl)urea
CID 108876008
1-(2,5-dimethylphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513500
4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzenesulfonic acid
CID 108876019
methyl 4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate
CID 108876214
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(3-methoxyphenyl)urea
CID 108876138
1-tert-butyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081100
2-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)benzamide;hydrochloride
CID 119945951
1-(2-hydroxy-5-methylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876889
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-cyclohexylurea
CID 110749319

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methylphenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea?
The IUPAC name of 1-(2-amino-5-methylphenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea (CID 108876310) is 1-(2-amino-5-methylphenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(2-amino-5-methylphenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea?
The canonical SMILES for 1-(2-amino-5-methylphenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea is Cc1ccc(N)c(NC(=O)NC2CC(=O)N(C(C)(C)C)C2)c1.
What is the InChIKey of 1-(2-amino-5-methylphenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea?
The InChIKey is STKJWGBUBJQDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-10-5-6-12(17)13(7-10)19-15(22)18-11-8-14(21)20(9-11)16(2,3)4/h5-7,11H,8-9,17H2,1-4H3,(H2,18,19,22).
What are the key properties of 1-(2-amino-5-methylphenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea?
1-(2-amino-5-methylphenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea has a molecular weight of 304.39 g/mol, XLogP of 2.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methylphenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea is sourced from PubChem (CID 108876310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).