1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(naphthalen-2-ylmethyl)urea

C20H23N3O2 — CID 99820423

IUPAC1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(naphthalen-2-ylmethyl)urea
SMILESO=C(NCc1ccc2ccccc2c1)NC[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C20H23N3O2/c24-19-10-15(13-23(19)18-7-8-18)12-22-20(25)21-11-14-5-6-16-3-1-2-4-17(16)9-14/h1-6,9,15,18H,7-8,10-13H2,(H2,21,22,25)/t15-/m1/s1
InChIKeyJSDJKRWVZJIYKI-OAHLLOKOSA-N
MW337.42 g/mol
LogP2.65
Rot. Bonds5

About 1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(naphthalen-2-ylmethyl)urea

1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(naphthalen-2-ylmethyl)urea (PubChem CID 99820423) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(naphthalen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(naphthalen-2-ylmethyl)urea
PubChem CID99820423
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(naphthalen-2-ylmethyl)urea
SMILESO=C(NCc1ccc2ccccc2c1)NC[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C20H23N3O2/c24-19-10-15(13-23(19)18-7-8-18)12-22-20(25)21-11-14-5-6-16-3-1-2-4-17(16)9-14/h1-6,9,15,18H,7-8,10-13H2,(H2,21,22,25)/t15-/m1/s1
InChIKeyJSDJKRWVZJIYKI-OAHLLOKOSA-N
XLogP2.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 110719865
1-(naphthalen-2-ylmethyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 95762758
1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea
CID 110747933
1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]urea
CID 131892648
1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(4-methyl-3-pyridinyl)methyl]urea
CID 138010415
1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea
CID 75500635
1-cyclopropyl-4-[[(3,4-difluorophenyl)methylamino]methyl]pyrrolidin-2-one
CID 154746765
1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]urea
CID 99793991
3-benzyl-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide
CID 136521896
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 110719904
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenoxybenzamide
CID 91772754
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(3-methylphenyl)propanamide
CID 110719902

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(naphthalen-2-ylmethyl)urea?
The IUPAC name of 1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(naphthalen-2-ylmethyl)urea (CID 99820423) is 1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(naphthalen-2-ylmethyl)urea.
What is the SMILES notation for 1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(naphthalen-2-ylmethyl)urea?
The canonical SMILES for 1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(naphthalen-2-ylmethyl)urea is O=C(NCc1ccc2ccccc2c1)NC[C@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of 1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(naphthalen-2-ylmethyl)urea?
The InChIKey is JSDJKRWVZJIYKI-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19-10-15(13-23(19)18-7-8-18)12-22-20(25)21-11-14-5-6-16-3-1-2-4-17(16)9-14/h1-6,9,15,18H,7-8,10-13H2,(H2,21,22,25)/t15-/m1/s1.
What are the key properties of 1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(naphthalen-2-ylmethyl)urea?
1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(naphthalen-2-ylmethyl)urea has a molecular weight of 337.42 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-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(naphthalen-2-ylmethyl)urea is sourced from PubChem (CID 99820423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).