(2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide

C20H23N3O2 — CID 25328467

IUPAC(2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
SMILESCc1ccccc1NC(=O)[C@@H](C)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H23N3O2/c1-14-6-3-4-7-18(14)22-20(25)15(2)21-16-9-11-17(12-10-16)23-13-5-8-19(23)24/h3-4,6-7,9-12,15,21H,5,8,13H2,1-2H3,(H,22,25)/t15-/m1/s1
InChIKeyXLTMNHOVYVUGHH-OAHLLOKOSA-N
MW337.42 g/mol
LogP3.56
Rot. Bonds5

About (2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide

(2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide (PubChem CID 25328467) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
PubChem CID25328467
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
SMILESCc1ccccc1NC(=O)[C@@H](C)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H23N3O2/c1-14-6-3-4-7-18(14)22-20(25)15(2)21-16-9-11-17(12-10-16)23-13-5-8-19(23)24/h3-4,6-7,9-12,15,21H,5,8,13H2,1-2H3,(H,22,25)/t15-/m1/s1
InChIKeyXLTMNHOVYVUGHH-OAHLLOKOSA-N
XLogP3.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The IUPAC name of (2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide (CID 25328467) is (2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide.
What is the SMILES notation for (2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The canonical SMILES for (2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide is Cc1ccccc1NC(=O)[C@@H](C)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of (2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The InChIKey is XLTMNHOVYVUGHH-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-6-3-4-7-18(14)22-20(25)15(2)21-16-9-11-17(12-10-16)23-13-5-8-19(23)24/h3-4,6-7,9-12,15,21H,5,8,13H2,1-2H3,(H,22,25)/t15-/m1/s1.
What are the key properties of (2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
(2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide has a molecular weight of 337.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide is sourced from PubChem (CID 25328467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).