1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea

C15H21N3O2 — CID 126840217

IUPAC1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)NC1C(=O)NCC1(C)C
InChIInChI=1S/C15H21N3O2/c1-9-6-5-7-10(2)11(9)17-14(20)18-12-13(19)16-8-15(12,3)4/h5-7,12H,8H2,1-4H3,(H,16,19)(H2,17,18,20)
InChIKeyLXUKBZGSRFRIKR-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.95
Rot. Bonds2

About 1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea

1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea (PubChem CID 126840217) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea
PubChem CID126840217
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)NC1C(=O)NCC1(C)C
InChIInChI=1S/C15H21N3O2/c1-9-6-5-7-10(2)11(9)17-14(20)18-12-13(19)16-8-15(12,3)4/h5-7,12H,8H2,1-4H3,(H,16,19)(H2,17,18,20)
InChIKeyLXUKBZGSRFRIKR-UHFFFAOYSA-N
XLogP1.95
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473192
1-(1,3-dimethyl-4-oxoimidazolidin-2-yl)-3-(2,6-dimethylphenyl)urea
CID 150855442
1-(1-acetylazetidin-3-yl)-3-(2,6-dimethylphenyl)urea
CID 126821450
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea
CID 110866349
1-(2,6-dimethylphenyl)-3-pyrrolidin-1-ylurea
CID 71409374
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid
CID 61187186
1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991420
1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea
CID 104721687
1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea
CID 110469284
1-(2,6-dimethylphenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea
CID 11610101
1-benzyl-3-(2,6-dimethylphenyl)urea
CID 2823182

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea?
The IUPAC name of 1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea (CID 126840217) is 1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea.
What is the SMILES notation for 1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea?
The canonical SMILES for 1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea is Cc1cccc(C)c1NC(=O)NC1C(=O)NCC1(C)C.
What is the InChIKey of 1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea?
The InChIKey is LXUKBZGSRFRIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9-6-5-7-10(2)11(9)17-14(20)18-12-13(19)16-8-15(12,3)4/h5-7,12H,8H2,1-4H3,(H,16,19)(H2,17,18,20).
What are the key properties of 1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea?
1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea has a molecular weight of 275.35 g/mol, XLogP of 1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea is sourced from PubChem (CID 126840217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).