1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea

C19H28N4O2 — CID 7215036

IUPAC1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCCN1CCC[C@@H]1CNC(=O)N[C@@H]1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C19H28N4O2/c1-3-22-10-4-5-17(22)12-20-19(25)21-15-11-18(24)23(13-15)16-8-6-14(2)7-9-16/h6-9,15,17H,3-5,10-13H2,1-2H3,(H2,20,21,25)/t15-,17-/m1/s1
InChIKeyCSNWMQNLOZHRQG-NVXWUHKLSA-N
MW344.46 g/mol
LogP1.88
Rot. Bonds5

About 1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea

1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 7215036) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID7215036
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCCN1CCC[C@@H]1CNC(=O)N[C@@H]1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C19H28N4O2/c1-3-22-10-4-5-17(22)12-20-19(25)21-15-11-18(24)23(13-15)16-8-6-14(2)7-9-16/h6-9,15,17H,3-5,10-13H2,1-2H3,(H2,20,21,25)/t15-,17-/m1/s1
InChIKeyCSNWMQNLOZHRQG-NVXWUHKLSA-N
XLogP1.88
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea
CID 42448175
1-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]urea
CID 42448178
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 16819868
1-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 43969395
1-[2-(dimethylamino)ethyl]-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513746
1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 7513825
1-(2-methylcyclohexyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969419
(3R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 41020368
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 93016515
4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
benzyl-methyl-[2-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]azanium
CID 7215051
1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 7215394

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea (CID 7215036) is 1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea is CCN1CCC[C@@H]1CNC(=O)N[C@@H]1CC(=O)N(c2ccc(C)cc2)C1.
What is the InChIKey of 1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is CSNWMQNLOZHRQG-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-3-22-10-4-5-17(22)12-20-19(25)21-15-11-18(24)23(13-15)16-8-6-14(2)7-9-16/h6-9,15,17H,3-5,10-13H2,1-2H3,(H2,20,21,25)/t15-,17-/m1/s1.
What are the key properties of 1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 344.46 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 7215036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).