1-[(2-ethylnaphthalen-1-yl)methyl]-3-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)urea

C25H27N3O2 — CID 166375838

IUPAC1-[(2-ethylnaphthalen-1-yl)methyl]-3-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)urea
SMILESCCc1ccc2ccccc2c1CNC(=O)NC1CC(C)N(c2ccccc2)C1=O
InChIInChI=1S/C25H27N3O2/c1-3-18-13-14-19-9-7-8-12-21(19)22(18)16-26-25(30)27-23-15-17(2)28(24(23)29)20-10-5-4-6-11-20/h4-14,17,23H,3,15-16H2,1-2H3,(H2,26,27,30)
InChIKeyGIGOOWGRVBAISC-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.40
Rot. Bonds5

About 1-[(2-ethylnaphthalen-1-yl)methyl]-3-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)urea

1-[(2-ethylnaphthalen-1-yl)methyl]-3-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)urea (PubChem CID 166375838) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[(2-ethylnaphthalen-1-yl)methyl]-3-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-[(2-ethylnaphthalen-1-yl)methyl]-3-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)urea
PubChem CID166375838
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name1-[(2-ethylnaphthalen-1-yl)methyl]-3-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)urea
SMILESCCc1ccc2ccccc2c1CNC(=O)NC1CC(C)N(c2ccccc2)C1=O
InChIInChI=1S/C25H27N3O2/c1-3-18-13-14-19-9-7-8-12-21(19)22(18)16-26-25(30)27-23-15-17(2)28(24(23)29)20-10-5-4-6-11-20/h4-14,17,23H,3,15-16H2,1-2H3,(H2,26,27,30)
InChIKeyGIGOOWGRVBAISC-UHFFFAOYSA-N
XLogP4.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylnaphthalen-1-yl)methyl]-3-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)urea?
The IUPAC name of 1-[(2-ethylnaphthalen-1-yl)methyl]-3-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)urea (CID 166375838) is 1-[(2-ethylnaphthalen-1-yl)methyl]-3-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-[(2-ethylnaphthalen-1-yl)methyl]-3-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-[(2-ethylnaphthalen-1-yl)methyl]-3-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)urea is CCc1ccc2ccccc2c1CNC(=O)NC1CC(C)N(c2ccccc2)C1=O.
What is the InChIKey of 1-[(2-ethylnaphthalen-1-yl)methyl]-3-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)urea?
The InChIKey is GIGOOWGRVBAISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-3-18-13-14-19-9-7-8-12-21(19)22(18)16-26-25(30)27-23-15-17(2)28(24(23)29)20-10-5-4-6-11-20/h4-14,17,23H,3,15-16H2,1-2H3,(H2,26,27,30).
What are the key properties of 1-[(2-ethylnaphthalen-1-yl)methyl]-3-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)urea?
1-[(2-ethylnaphthalen-1-yl)methyl]-3-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)urea has a molecular weight of 401.51 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylnaphthalen-1-yl)methyl]-3-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)urea is sourced from PubChem (CID 166375838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).