N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide

C12H23N3O2 — CID 113408453

IUPACN-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)NC(C)C(=O)N1CCCC1
InChIInChI=1S/C12H23N3O2/c1-3-6-13-9-11(16)14-10(2)12(17)15-7-4-5-8-15/h10,13H,3-9H2,1-2H3,(H,14,16)
InChIKeyCDXAGYBWFOUSEL-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.11
Rot. Bonds6

About N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide

N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide (PubChem CID 113408453) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide
PubChem CID113408453
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)NC(C)C(=O)N1CCCC1
InChIInChI=1S/C12H23N3O2/c1-3-6-13-9-11(16)14-10(2)12(17)15-7-4-5-8-15/h10,13H,3-9H2,1-2H3,(H,14,16)
InChIKeyCDXAGYBWFOUSEL-UHFFFAOYSA-N
XLogP0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 60945403
N-propan-2-yl-2-(propylamino)acetamide
CID 28586282
2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 110280633
2-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 93360859
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propan-2-ylacetamide
CID 43402044
2-ethyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]butanamide
CID 95747727
1-butyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)urea
CID 113229167
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propylpropanamide
CID 60677295
N-[2-oxo-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]adamantane-1-carboxamide
CID 51122491
1-(azepan-1-yl)-2-(butylamino)propan-1-one
CID 43086925
(2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride
CID 119292063
4-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 63307556

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide?
The IUPAC name of N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide (CID 113408453) is N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide.
What is the SMILES notation for N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide?
The canonical SMILES for N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide is CCCNCC(=O)NC(C)C(=O)N1CCCC1.
What is the InChIKey of N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide?
The InChIKey is CDXAGYBWFOUSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-6-13-9-11(16)14-10(2)12(17)15-7-4-5-8-15/h10,13H,3-9H2,1-2H3,(H,14,16).
What are the key properties of N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide?
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide has a molecular weight of 241.33 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide is sourced from PubChem (CID 113408453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).