(2S)-N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide

C21H25N3O2 — CID 8967422

IUPAC(2S)-N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
SMILESC[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-16(21(26)23(2)15-17-7-4-3-5-8-17)22-18-10-12-19(13-11-18)24-14-6-9-20(24)25/h3-5,7-8,10-13,16,22H,6,9,14-15H2,1-2H3/t16-/m0/s1
InChIKeyUPZWZGCRYWXBPF-INIZCTEOSA-N
MW351.45 g/mol
LogP3.27
Rot. Bonds6

About (2S)-N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide

(2S)-N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide (PubChem CID 8967422) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (2S)-N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
PubChem CID8967422
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(2S)-N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
SMILESC[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-16(21(26)23(2)15-17-7-4-3-5-8-17)22-18-10-12-19(13-11-18)24-14-6-9-20(24)25/h3-5,7-8,10-13,16,22H,6,9,14-15H2,1-2H3/t16-/m0/s1
InChIKeyUPZWZGCRYWXBPF-INIZCTEOSA-N
XLogP3.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27666071
(2S)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-(4-phenylmethoxyphenyl)propanamide
CID 41104777
3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 17397146
1-benzyl-1,2-dimethyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 110951460
(2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25328467
N-(2-fluorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17493498
[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132504
1-[(3-chlorophenyl)methyl]-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 55696103
N-benzyl-N-ethyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110295271
[(2S)-1-[benzyl(tert-butyl)amino]-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8545000
(2S)-N,N-dimethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-2-phenylacetamide
CID 25480897
4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide
CID 8967594

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The IUPAC name of (2S)-N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide (CID 8967422) is (2S)-N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide.
What is the SMILES notation for (2S)-N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The canonical SMILES for (2S)-N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide is C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of (2S)-N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The InChIKey is UPZWZGCRYWXBPF-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16(21(26)23(2)15-17-7-4-3-5-8-17)22-18-10-12-19(13-11-18)24-14-6-9-20(24)25/h3-5,7-8,10-13,16,22H,6,9,14-15H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
(2S)-N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide has a molecular weight of 351.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide is sourced from PubChem (CID 8967422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).