N-cyclopropyl-4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]butanamide

C14H23N3O3 — CID 79394599

IUPACN-cyclopropyl-4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]butanamide
SMILESCCCN1C(=O)CC(NCCCC(=O)NC2CC2)C1=O
InChIInChI=1S/C14H23N3O3/c1-2-8-17-13(19)9-11(14(17)20)15-7-3-4-12(18)16-10-5-6-10/h10-11,15H,2-9H2,1H3,(H,16,18)
InChIKeyOXRRMOSUBVMISJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.17
Rot. Bonds8

About N-cyclopropyl-4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]butanamide

N-cyclopropyl-4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]butanamide (PubChem CID 79394599) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]butanamide
PubChem CID79394599
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-cyclopropyl-4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]butanamide
SMILESCCCN1C(=O)CC(NCCCC(=O)NC2CC2)C1=O
InChIInChI=1S/C14H23N3O3/c1-2-8-17-13(19)9-11(14(17)20)15-7-3-4-12(18)16-10-5-6-10/h10-11,15H,2-9H2,1H3,(H,16,18)
InChIKeyOXRRMOSUBVMISJ-UHFFFAOYSA-N
XLogP0.17
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N-ethylpropanamide
CID 113409809
1-octyl-3-(octylamino)pyrrolidine-2,5-dione
CID 512833
2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]ethyl carbamate
CID 83211649
2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetamide
CID 43636128
methyl 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetate
CID 43636164
3-[2-(4-methylpiperazin-1-yl)ethylamino]-1-propylpyrrolidine-2,5-dione
CID 60923821
N-cyclopropyl-3-[1-[2-(methylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanamide
CID 171560807
3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 43636704
3-(cyclooctylamino)-1-propylpyrrolidine-2,5-dione
CID 43636456
N-cyclopropyl-4-(propylamino)butanamide
CID 79394678
3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N,2,2-trimethylpropanamide
CID 106275866
3-[(1-methylpyrrolidin-3-yl)methylamino]-1-propylpyrrolidine-2,5-dione
CID 54926953

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]butanamide (CID 79394599) is N-cyclopropyl-4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]butanamide is CCCN1C(=O)CC(NCCCC(=O)NC2CC2)C1=O.
What is the InChIKey of N-cyclopropyl-4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]butanamide?
The InChIKey is OXRRMOSUBVMISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-2-8-17-13(19)9-11(14(17)20)15-7-3-4-12(18)16-10-5-6-10/h10-11,15H,2-9H2,1H3,(H,16,18).
What are the key properties of N-cyclopropyl-4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]butanamide?
N-cyclopropyl-4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]butanamide has a molecular weight of 281.36 g/mol, XLogP of 0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]butanamide is sourced from PubChem (CID 79394599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).