N-[1-oxo-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butan-2-yl]pentanamide

C15H27N3O3 — CID 123242180

IUPACN-[1-oxo-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butan-2-yl]pentanamide
SMILESCCCCC(=O)NC(CC)C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C15H27N3O3/c1-3-5-8-13(19)17-12(4-2)15(21)16-11-14(20)18-9-6-7-10-18/h12H,3-11H2,1-2H3,(H,16,21)(H,17,19)
InChIKeyFDFZYMKJGMOALJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.81
Rot. Bonds8

About N-[1-oxo-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butan-2-yl]pentanamide

N-[1-oxo-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butan-2-yl]pentanamide (PubChem CID 123242180) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[1-oxo-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butan-2-yl]pentanamide.

Molecular Properties

Compound NameN-[1-oxo-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butan-2-yl]pentanamide
PubChem CID123242180
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN-[1-oxo-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butan-2-yl]pentanamide
SMILESCCCCC(=O)NC(CC)C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C15H27N3O3/c1-3-5-8-13(19)17-12(4-2)15(21)16-11-14(20)18-9-6-7-10-18/h12H,3-11H2,1-2H3,(H,16,21)(H,17,19)
InChIKeyFDFZYMKJGMOALJ-UHFFFAOYSA-N
XLogP0.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide
CID 112995931
N-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide
CID 88957287
N-butyl-2-[(2-oxo-2-piperidin-1-ylethyl)amino]acetamide
CID 112685302
2-[[2-(pentanoylamino)-3-sulfanylpropanoyl]amino]acetic acid
CID 163263945
2-[2-[[2-[[2-(azepane-1-carbonylamino)acetyl]amino]acetyl]amino]hexanoylamino]acetic acid
CID 143234670
N-butyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
CID 115586639
4-chloro-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
CID 82109147
6-amino-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]hexanamide
CID 118327264
2-methyl-3-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 114898938
2-methyl-3-oxo-3-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 114898939
1-(azepan-1-yl)-3-(butylamino)propan-1-one
CID 109012440
7-amino-N-(2-oxo-2-piperidin-1-ylethyl)heptanamide
CID 115597328

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butan-2-yl]pentanamide?
The IUPAC name of N-[1-oxo-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butan-2-yl]pentanamide (CID 123242180) is N-[1-oxo-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butan-2-yl]pentanamide.
What is the SMILES notation for N-[1-oxo-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butan-2-yl]pentanamide?
The canonical SMILES for N-[1-oxo-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butan-2-yl]pentanamide is CCCCC(=O)NC(CC)C(=O)NCC(=O)N1CCCC1.
What is the InChIKey of N-[1-oxo-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butan-2-yl]pentanamide?
The InChIKey is FDFZYMKJGMOALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-3-5-8-13(19)17-12(4-2)15(21)16-11-14(20)18-9-6-7-10-18/h12H,3-11H2,1-2H3,(H,16,21)(H,17,19).
What are the key properties of N-[1-oxo-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butan-2-yl]pentanamide?
N-[1-oxo-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butan-2-yl]pentanamide has a molecular weight of 297.40 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butan-2-yl]pentanamide is sourced from PubChem (CID 123242180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).