1,1-diethyl-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea

C17H25N3O2 — CID 16920233

IUPAC1,1-diethyl-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
SMILESCCN(CC)C(=O)NCC1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C17H25N3O2/c1-4-19(5-2)17(22)18-11-14-10-16(21)20(12-14)15-8-6-13(3)7-9-15/h6-9,14H,4-5,10-12H2,1-3H3,(H,18,22)
InChIKeyXDMCRUGLJHNGDY-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.40
Rot. Bonds5

About 1,1-diethyl-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea

1,1-diethyl-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea (PubChem CID 16920233) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1,1-diethyl-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
PubChem CID16920233
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1,1-diethyl-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
SMILESCCN(CC)C(=O)NCC1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C17H25N3O2/c1-4-19(5-2)17(22)18-11-14-10-16(21)20(12-14)15-8-6-13(3)7-9-15/h6-9,14H,4-5,10-12H2,1-3H3,(H,18,22)
InChIKeyXDMCRUGLJHNGDY-UHFFFAOYSA-N
XLogP2.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-1,1-diethylurea
CID 16920179
methyl N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate
CID 16919084
2-ethoxy-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40896977
1,1-diethyl-3-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]urea
CID 110367243
2-cyclopentyl-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40896961
N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205
4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918995
4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
2-(3-methylphenyl)-N-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 40897451
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 40876664
1-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methylphenyl)urea
CID 40913151
1-(3-methylphenyl)-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920185

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1,1-diethyl-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea (CID 16920233) is 1,1-diethyl-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1,1-diethyl-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea is CCN(CC)C(=O)NCC1CC(=O)N(c2ccc(C)cc2)C1.
What is the InChIKey of 1,1-diethyl-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea?
The InChIKey is XDMCRUGLJHNGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-4-19(5-2)17(22)18-11-14-10-16(21)20(12-14)15-8-6-13(3)7-9-15/h6-9,14H,4-5,10-12H2,1-3H3,(H,18,22).
What are the key properties of 1,1-diethyl-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea?
1,1-diethyl-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea has a molecular weight of 303.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 16920233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).