N-[(4-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide

C21H25N3O2 — CID 51248710

IUPACN-[(4-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
SMILESCc1ccc(CNC(=O)C(C)Nc2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C21H25N3O2/c1-15-8-10-17(11-9-15)14-22-21(26)16(2)23-18-5-3-6-19(13-18)24-12-4-7-20(24)25/h3,5-6,8-11,13,16,23H,4,7,12,14H2,1-2H3,(H,22,26)
InChIKeyUHTYXDQZCGOICL-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.24
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide

N-[(4-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide (PubChem CID 51248710) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
PubChem CID51248710
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[(4-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
SMILESCc1ccc(CNC(=O)C(C)Nc2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C21H25N3O2/c1-15-8-10-17(11-9-15)14-22-21(26)16(2)23-18-5-3-6-19(13-18)24-12-4-7-20(24)25/h3,5-6,8-11,13,16,23H,4,7,12,14H2,1-2H3,(H,22,26)
InChIKeyUHTYXDQZCGOICL-UHFFFAOYSA-N
XLogP3.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 18584462
(2R)-2-(3-methylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 51925493
2-amino-2-(4-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 120667367
N-(2,6-difluorophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 51248705
(2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 30572946
N-(4-methylphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679439
(2S)-2-(3-acetylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 35996003
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8544713
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
(2R)-2-methylsulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 94249524
1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169682
2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24622415

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide (CID 51248710) is N-[(4-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide is Cc1ccc(CNC(=O)C(C)Nc2cccc(N3CCCC3=O)c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The InChIKey is UHTYXDQZCGOICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-8-10-17(11-9-15)14-22-21(26)16(2)23-18-5-3-6-19(13-18)24-12-4-7-20(24)25/h3,5-6,8-11,13,16,23H,4,7,12,14H2,1-2H3,(H,22,26).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide?
N-[(4-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide has a molecular weight of 351.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide is sourced from PubChem (CID 51248710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).