2-(3-methoxyphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]azetidine-1-carboxamide

C22H25N3O3 — CID 74249571

IUPAC2-(3-methoxyphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]azetidine-1-carboxamide
SMILESCOc1cccc(C2CCN2C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1
InChIInChI=1S/C22H25N3O3/c1-15-13-17(8-9-19(15)24-11-4-7-21(24)26)23-22(27)25-12-10-20(25)16-5-3-6-18(14-16)28-2/h3,5-6,8-9,13-14,20H,4,7,10-12H2,1-2H3,(H,23,27)
InChIKeyLWVWUMLZIVWZIY-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.11
Rot. Bonds4

About 2-(3-methoxyphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]azetidine-1-carboxamide

2-(3-methoxyphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]azetidine-1-carboxamide (PubChem CID 74249571) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]azetidine-1-carboxamide
PubChem CID74249571
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-(3-methoxyphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]azetidine-1-carboxamide
SMILESCOc1cccc(C2CCN2C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1
InChIInChI=1S/C22H25N3O3/c1-15-13-17(8-9-19(15)24-11-4-7-21(24)26)23-22(27)25-12-10-20(25)16-5-3-6-18(14-16)28-2/h3,5-6,8-9,13-14,20H,4,7,10-12H2,1-2H3,(H,23,27)
InChIKeyLWVWUMLZIVWZIY-UHFFFAOYSA-N
XLogP4.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679288
2-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)azetidine-1-carboxamide
CID 72855696
N-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987034
1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 97279560
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30220125
phenyl N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamate
CID 7686624
N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86986361
N-(3-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013061
N-[(4-methoxyphenyl)methyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584394
1-(4-methoxy-2-methylphenyl)pyrrolidin-2-one
CID 25155815
N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987252
2-(3-methoxyphenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)pyrrolidine-1-carboxamide
CID 72867925

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]azetidine-1-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]azetidine-1-carboxamide (CID 74249571) is 2-(3-methoxyphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]azetidine-1-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]azetidine-1-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]azetidine-1-carboxamide is COc1cccc(C2CCN2C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]azetidine-1-carboxamide?
The InChIKey is LWVWUMLZIVWZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15-13-17(8-9-19(15)24-11-4-7-21(24)26)23-22(27)25-12-10-20(25)16-5-3-6-18(14-16)28-2/h3,5-6,8-9,13-14,20H,4,7,10-12H2,1-2H3,(H,23,27).
What are the key properties of 2-(3-methoxyphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]azetidine-1-carboxamide?
2-(3-methoxyphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]azetidine-1-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]azetidine-1-carboxamide is sourced from PubChem (CID 74249571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).