1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea

C14H19N3O2 — CID 94796717

IUPAC1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
SMILESCN1C[C@@H](NC(=O)NCCc2ccccc2)CC1=O
InChIInChI=1S/C14H19N3O2/c1-17-10-12(9-13(17)18)16-14(19)15-8-7-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H2,15,16,19)/t12-/m0/s1
InChIKeyRNRBMMVXJBMINW-LBPRGKRZSA-N
MW261.32 g/mol
LogP0.76
Rot. Bonds4

About 1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea

1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea (PubChem CID 94796717) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
PubChem CID94796717
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
SMILESCN1C[C@@H](NC(=O)NCCc2ccccc2)CC1=O
InChIInChI=1S/C14H19N3O2/c1-17-10-12(9-13(17)18)16-14(19)15-8-7-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H2,15,16,19)/t12-/m0/s1
InChIKeyRNRBMMVXJBMINW-LBPRGKRZSA-N
XLogP0.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 7215297
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(4-phenylbutyl)urea
CID 108876718
1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 18572772
N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736486
1-(1-methyl-5-oxopyrrolidin-3-yl)-3-pentylurea
CID 56794755
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide
CID 110473177
1-[(3R)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 95985030
1-[2-(4-fluorophenyl)ethyl]-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876999
1-[2-(3-bromophenyl)ethyl]-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108877068
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 108876341
1-[2-(4-methoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564273

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea (CID 94796717) is 1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea is CN1C[C@@H](NC(=O)NCCc2ccccc2)CC1=O.
What is the InChIKey of 1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea?
The InChIKey is RNRBMMVXJBMINW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17-10-12(9-13(17)18)16-14(19)15-8-7-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H2,15,16,19)/t12-/m0/s1.
What are the key properties of 1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea?
1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea has a molecular weight of 261.32 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 94796717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).