1-[(1S)-2-methyl-1-phenylpropyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea

C21H25N3O2 — CID 51945595

IUPAC1-[(1S)-2-methyl-1-phenylpropyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCC(C)[C@H](NC(=O)Nc1ccccc1N1CCCC1=O)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-15(2)20(16-9-4-3-5-10-16)23-21(26)22-17-11-6-7-12-18(17)24-14-8-13-19(24)25/h3-7,9-12,15,20H,8,13-14H2,1-2H3,(H2,22,23,26)/t20-/m0/s1
InChIKeyGTDAZVVATIAOKN-FQEVSTJZSA-N
MW351.45 g/mol
LogP4.33
Rot. Bonds5

About 1-[(1S)-2-methyl-1-phenylpropyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea

1-[(1S)-2-methyl-1-phenylpropyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 51945595) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[(1S)-2-methyl-1-phenylpropyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(1S)-2-methyl-1-phenylpropyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
PubChem CID51945595
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-[(1S)-2-methyl-1-phenylpropyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCC(C)[C@H](NC(=O)Nc1ccccc1N1CCCC1=O)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-15(2)20(16-9-4-3-5-10-16)23-21(26)22-17-11-6-7-12-18(17)24-14-8-13-19(24)25/h3-7,9-12,15,20H,8,13-14H2,1-2H3,(H2,22,23,26)/t20-/m0/s1
InChIKeyGTDAZVVATIAOKN-FQEVSTJZSA-N
XLogP4.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352
2-bromo-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 61250864
1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 55699121
(2R)-2-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 103794249
(2S)-2-amino-4-methylsulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 61274381
N-[2-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 18166596
2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883
1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea
CID 27734199
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylsulfanylpropanamide
CID 26955397
1-[3-(N-methylanilino)propyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 55698993
2-(3-chlorophenoxy)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 16566801
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 46667553

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-methyl-1-phenylpropyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[(1S)-2-methyl-1-phenylpropyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea (CID 51945595) is 1-[(1S)-2-methyl-1-phenylpropyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[(1S)-2-methyl-1-phenylpropyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[(1S)-2-methyl-1-phenylpropyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea is CC(C)[C@H](NC(=O)Nc1ccccc1N1CCCC1=O)c1ccccc1.
What is the InChIKey of 1-[(1S)-2-methyl-1-phenylpropyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea?
The InChIKey is GTDAZVVATIAOKN-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15(2)20(16-9-4-3-5-10-16)23-21(26)22-17-11-6-7-12-18(17)24-14-8-13-19(24)25/h3-7,9-12,15,20H,8,13-14H2,1-2H3,(H2,22,23,26)/t20-/m0/s1.
What are the key properties of 1-[(1S)-2-methyl-1-phenylpropyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea?
1-[(1S)-2-methyl-1-phenylpropyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 351.45 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-methyl-1-phenylpropyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 51945595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).