1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-1-naphthalen-2-ylpropan-2-yl]urea

C19H23N3O2 — CID 95774040

IUPAC1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-1-naphthalen-2-ylpropan-2-yl]urea
SMILESC[C@@H](Cc1ccc2ccccc2c1)NC(=O)N[C@H]1CCN(C)C1=O
InChIInChI=1S/C19H23N3O2/c1-13(20-19(24)21-17-9-10-22(2)18(17)23)11-14-7-8-15-5-3-4-6-16(15)12-14/h3-8,12-13,17H,9-11H2,1-2H3,(H2,20,21,24)/t13-,17-/m0/s1
InChIKeyXSMYRVJSPMQDPU-GUYCJALGSA-N
MW325.41 g/mol
LogP2.30
Rot. Bonds4

About 1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-1-naphthalen-2-ylpropan-2-yl]urea

1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-1-naphthalen-2-ylpropan-2-yl]urea (PubChem CID 95774040) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-1-naphthalen-2-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-1-naphthalen-2-ylpropan-2-yl]urea
PubChem CID95774040
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-1-naphthalen-2-ylpropan-2-yl]urea
SMILESC[C@@H](Cc1ccc2ccccc2c1)NC(=O)N[C@H]1CCN(C)C1=O
InChIInChI=1S/C19H23N3O2/c1-13(20-19(24)21-17-9-10-22(2)18(17)23)11-14-7-8-15-5-3-4-6-16(15)12-14/h3-8,12-13,17H,9-11H2,1-2H3,(H2,20,21,24)/t13-,17-/m0/s1
InChIKeyXSMYRVJSPMQDPU-GUYCJALGSA-N
XLogP2.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[3-(aminomethyl)phenyl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
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CID 97215300
1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-naphthalen-2-ylpropan-2-yl)urea
CID 111505667
1-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea
CID 124568535
1-[(1S)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea
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4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-1-naphthalen-2-ylpropan-2-yl]urea?
The IUPAC name of 1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-1-naphthalen-2-ylpropan-2-yl]urea (CID 95774040) is 1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-1-naphthalen-2-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-1-naphthalen-2-ylpropan-2-yl]urea?
The canonical SMILES for 1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-1-naphthalen-2-ylpropan-2-yl]urea is C[C@@H](Cc1ccc2ccccc2c1)NC(=O)N[C@H]1CCN(C)C1=O.
What is the InChIKey of 1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-1-naphthalen-2-ylpropan-2-yl]urea?
The InChIKey is XSMYRVJSPMQDPU-GUYCJALGSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(20-19(24)21-17-9-10-22(2)18(17)23)11-14-7-8-15-5-3-4-6-16(15)12-14/h3-8,12-13,17H,9-11H2,1-2H3,(H2,20,21,24)/t13-,17-/m0/s1.
What are the key properties of 1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-1-naphthalen-2-ylpropan-2-yl]urea?
1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-1-naphthalen-2-ylpropan-2-yl]urea has a molecular weight of 325.41 g/mol, XLogP of 2.30, 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-2-oxopyrrolidin-3-yl]-3-[(2S)-1-naphthalen-2-ylpropan-2-yl]urea is sourced from PubChem (CID 95774040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).