1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea

C19H23N3O2 — CID 25306313

IUPAC1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea
SMILESCCCNC(=O)N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1
InChIInChI=1S/C19H23N3O2/c1-2-10-20-19(24)21-16-11-18(23)22(13-16)12-15-8-5-7-14-6-3-4-9-17(14)15/h3-9,16H,2,10-13H2,1H3,(H2,20,21,24)/t16-/m1/s1
InChIKeyIPOSFWLLJHLNNU-MRXNPFEDSA-N
MW325.41 g/mol
LogP2.65
Rot. Bonds5

About 1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea

1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea (PubChem CID 25306313) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea.

Molecular Properties

Compound Name1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea
PubChem CID25306313
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea
SMILESCCCNC(=O)N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1
InChIInChI=1S/C19H23N3O2/c1-2-10-20-19(24)21-16-11-18(23)22(13-16)12-15-8-5-7-14-6-3-4-9-17(14)15/h3-9,16H,2,10-13H2,1H3,(H2,20,21,24)/t16-/m1/s1
InChIKeyIPOSFWLLJHLNNU-MRXNPFEDSA-N
XLogP2.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 26315441
1-[(3R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-3-propylurea
CID 42567517
2-acetamido-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 45233435
2-methylsulfanyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 45226277
3-hydroxy-2-methyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]benzamide
CID 95724518
N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-5-propyl-1,2-oxazole-4-carboxamide
CID 95727197
1-methyl-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide
CID 95719674
N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
CID 42392664
4-methyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
CID 56902155
N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 95721627
2-(2-ethylimidazol-1-yl)-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 95729153
3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
CID 56904815

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea?
The IUPAC name of 1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea (CID 25306313) is 1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea.
What is the SMILES notation for 1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea?
The canonical SMILES for 1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea is CCCNC(=O)N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1.
What is the InChIKey of 1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea?
The InChIKey is IPOSFWLLJHLNNU-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-10-20-19(24)21-16-11-18(23)22(13-16)12-15-8-5-7-14-6-3-4-9-17(14)15/h3-9,16H,2,10-13H2,1H3,(H2,20,21,24)/t16-/m1/s1.
What are the key properties of 1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea?
1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea has a molecular weight of 325.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea is sourced from PubChem (CID 25306313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).