1-[4-(methoxymethyl)phenyl]-3-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]urea

C21H25N3O3 — CID 119049842

IUPAC1-[4-(methoxymethyl)phenyl]-3-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]urea
SMILESCOCc1ccc(NC(=O)NC2CCN(Cc3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C21H25N3O3/c1-15-3-5-16(6-4-15)13-24-12-11-19(20(24)25)23-21(26)22-18-9-7-17(8-10-18)14-27-2/h3-10,19H,11-14H2,1-2H3,(H2,22,23,26)
InChIKeyZCQSQLKMZFCWOU-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.06
Rot. Bonds6

About 1-[4-(methoxymethyl)phenyl]-3-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]urea

1-[4-(methoxymethyl)phenyl]-3-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]urea (PubChem CID 119049842) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)phenyl]-3-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[4-(methoxymethyl)phenyl]-3-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]urea
PubChem CID119049842
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-[4-(methoxymethyl)phenyl]-3-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]urea
SMILESCOCc1ccc(NC(=O)NC2CCN(Cc3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C21H25N3O3/c1-15-3-5-16(6-4-15)13-24-12-11-19(20(24)25)23-21(26)22-18-9-7-17(8-10-18)14-27-2/h3-10,19H,11-14H2,1-2H3,(H2,22,23,26)
InChIKeyZCQSQLKMZFCWOU-UHFFFAOYSA-N
XLogP3.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxoazepan-3-yl]urea
CID 56835679
1-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylurea
CID 124623266
(3S)-3-hydroxy-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 118207331
[4-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 175835226
2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 119328833
2,4,5-trifluoro-3-hydroxy-N-[(3S)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide
CID 129402092
2-[2-oxo-3-(phenylcarbamoylamino)pyrrolidin-1-yl]acetamide
CID 141007629
N-[(3S)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 129352847
N-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-4H-furo[3,2-b]pyrrole-5-carboxamide
CID 124847797
2-(1,2-benzoxazol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide
CID 126792782
N-(1-benzyl-2-oxopyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119757847
1-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-(2-chlorothiophen-3-yl)urea
CID 125138278

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)phenyl]-3-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-[4-(methoxymethyl)phenyl]-3-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]urea (CID 119049842) is 1-[4-(methoxymethyl)phenyl]-3-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[4-(methoxymethyl)phenyl]-3-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-[4-(methoxymethyl)phenyl]-3-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]urea is COCc1ccc(NC(=O)NC2CCN(Cc3ccc(C)cc3)C2=O)cc1.
What is the InChIKey of 1-[4-(methoxymethyl)phenyl]-3-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]urea?
The InChIKey is ZCQSQLKMZFCWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-3-5-16(6-4-15)13-24-12-11-19(20(24)25)23-21(26)22-18-9-7-17(8-10-18)14-27-2/h3-10,19H,11-14H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-[4-(methoxymethyl)phenyl]-3-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]urea?
1-[4-(methoxymethyl)phenyl]-3-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]urea has a molecular weight of 367.45 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)phenyl]-3-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 119049842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).