N-[4-[2-oxo-2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]amino]ethyl]phenyl]butanamide

C19H27N3O3 — CID 95046973

IUPACN-[4-[2-oxo-2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]amino]ethyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(CC(=O)N[C@H]2CC(=O)N(CCC)C2)cc1
InChIInChI=1S/C19H27N3O3/c1-3-5-17(23)20-15-8-6-14(7-9-15)11-18(24)21-16-12-19(25)22(13-16)10-4-2/h6-9,16H,3-5,10-13H2,1-2H3,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyNUIMAGQFIAYFFA-INIZCTEOSA-N
MW345.44 g/mol
LogP2.09
Rot. Bonds8

About N-[4-[2-oxo-2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]amino]ethyl]phenyl]butanamide

N-[4-[2-oxo-2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]amino]ethyl]phenyl]butanamide (PubChem CID 95046973) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]amino]ethyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]amino]ethyl]phenyl]butanamide
PubChem CID95046973
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[4-[2-oxo-2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]amino]ethyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(CC(=O)N[C@H]2CC(=O)N(CCC)C2)cc1
InChIInChI=1S/C19H27N3O3/c1-3-5-17(23)20-15-8-6-14(7-9-15)11-18(24)21-16-12-19(25)22(13-16)10-4-2/h6-9,16H,3-5,10-13H2,1-2H3,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyNUIMAGQFIAYFFA-INIZCTEOSA-N
XLogP2.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[2-oxo-2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]amino]ethyl]phenyl]butanamide with MolForge

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Related Compounds

2-(4-ethylphenyl)-N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95723598
N-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461
N-[4-[[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]methyl]phenyl]butanamide;hydroiodide
CID 111912711
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
2-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetic acid
CID 108876522
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide
CID 7546570
N-cyclopropyl-2-[4-[[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]amino]phenyl]acetamide
CID 131896576
3-methoxy-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 25395480
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide
CID 42567385
2-acetamido-N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 26334712
2-amino-5-hydroxy-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
CID 131944350
N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-methylsulfanylacetamide
CID 26335253

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]amino]ethyl]phenyl]butanamide?
The IUPAC name of N-[4-[2-oxo-2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]amino]ethyl]phenyl]butanamide (CID 95046973) is N-[4-[2-oxo-2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]amino]ethyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[2-oxo-2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]amino]ethyl]phenyl]butanamide?
The canonical SMILES for N-[4-[2-oxo-2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]amino]ethyl]phenyl]butanamide is CCCC(=O)Nc1ccc(CC(=O)N[C@H]2CC(=O)N(CCC)C2)cc1.
What is the InChIKey of N-[4-[2-oxo-2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]amino]ethyl]phenyl]butanamide?
The InChIKey is NUIMAGQFIAYFFA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-5-17(23)20-15-8-6-14(7-9-15)11-18(24)21-16-12-19(25)22(13-16)10-4-2/h6-9,16H,3-5,10-13H2,1-2H3,(H,20,23)(H,21,24)/t16-/m0/s1.
What are the key properties of N-[4-[2-oxo-2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]amino]ethyl]phenyl]butanamide?
N-[4-[2-oxo-2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]amino]ethyl]phenyl]butanamide has a molecular weight of 345.44 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]amino]ethyl]phenyl]butanamide is sourced from PubChem (CID 95046973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).