1-[(5-oxopyrrolidin-2-yl)methyl]-3-[2-(4-phenylphenyl)ethyl]-1-propan-2-ylurea

C23H29N3O2 — CID 138045164

IUPAC1-[(5-oxopyrrolidin-2-yl)methyl]-3-[2-(4-phenylphenyl)ethyl]-1-propan-2-ylurea
SMILESCC(C)N(CC1CCC(=O)N1)C(=O)NCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H29N3O2/c1-17(2)26(16-21-12-13-22(27)25-21)23(28)24-15-14-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-11,17,21H,12-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyUAUWAADXXVBZAV-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.59
Rot. Bonds7

About 1-[(5-oxopyrrolidin-2-yl)methyl]-3-[2-(4-phenylphenyl)ethyl]-1-propan-2-ylurea

1-[(5-oxopyrrolidin-2-yl)methyl]-3-[2-(4-phenylphenyl)ethyl]-1-propan-2-ylurea (PubChem CID 138045164) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-[(5-oxopyrrolidin-2-yl)methyl]-3-[2-(4-phenylphenyl)ethyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name1-[(5-oxopyrrolidin-2-yl)methyl]-3-[2-(4-phenylphenyl)ethyl]-1-propan-2-ylurea
PubChem CID138045164
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-[(5-oxopyrrolidin-2-yl)methyl]-3-[2-(4-phenylphenyl)ethyl]-1-propan-2-ylurea
SMILESCC(C)N(CC1CCC(=O)N1)C(=O)NCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H29N3O2/c1-17(2)26(16-21-12-13-22(27)25-21)23(28)24-15-14-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-11,17,21H,12-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyUAUWAADXXVBZAV-UHFFFAOYSA-N
XLogP3.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(3-methylphenyl)phenyl]-1-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-1-propan-2-ylurea
CID 97282523
N-[(5-oxopyrrolidin-2-yl)methyl]-1-(3-phenylpropyl)-N-propan-2-yltriazole-4-carboxamide
CID 45183420
1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea
CID 108902247
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(3-phenylpropyl)-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 42515593
formic acid;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;propane
CID 143719686
N-[2-(4-acetamidophenyl)ethyl]-2-(5-oxopyrrolidin-2-yl)acetamide
CID 138034380
N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide
CID 10968855
3-benzyl-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea
CID 107654227
N-[2-(4-benzoylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110667340
2-(5-fluoro-2-methylphenyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylacetamide
CID 95194175
3-amino-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 80552772
3,4-bis[2-(4-phenylphenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 154961336

Frequently Asked Questions

What is the IUPAC name of 1-[(5-oxopyrrolidin-2-yl)methyl]-3-[2-(4-phenylphenyl)ethyl]-1-propan-2-ylurea?
The IUPAC name of 1-[(5-oxopyrrolidin-2-yl)methyl]-3-[2-(4-phenylphenyl)ethyl]-1-propan-2-ylurea (CID 138045164) is 1-[(5-oxopyrrolidin-2-yl)methyl]-3-[2-(4-phenylphenyl)ethyl]-1-propan-2-ylurea.
What is the SMILES notation for 1-[(5-oxopyrrolidin-2-yl)methyl]-3-[2-(4-phenylphenyl)ethyl]-1-propan-2-ylurea?
The canonical SMILES for 1-[(5-oxopyrrolidin-2-yl)methyl]-3-[2-(4-phenylphenyl)ethyl]-1-propan-2-ylurea is CC(C)N(CC1CCC(=O)N1)C(=O)NCCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(5-oxopyrrolidin-2-yl)methyl]-3-[2-(4-phenylphenyl)ethyl]-1-propan-2-ylurea?
The InChIKey is UAUWAADXXVBZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17(2)26(16-21-12-13-22(27)25-21)23(28)24-15-14-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-11,17,21H,12-16H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 1-[(5-oxopyrrolidin-2-yl)methyl]-3-[2-(4-phenylphenyl)ethyl]-1-propan-2-ylurea?
1-[(5-oxopyrrolidin-2-yl)methyl]-3-[2-(4-phenylphenyl)ethyl]-1-propan-2-ylurea has a molecular weight of 379.50 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-oxopyrrolidin-2-yl)methyl]-3-[2-(4-phenylphenyl)ethyl]-1-propan-2-ylurea is sourced from PubChem (CID 138045164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).