N-butyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide

C12H20N2O3 — CID 17035020

IUPACN-butyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide
SMILESCCCCNC(=O)CCCN1C(=O)CCC1=O
InChIInChI=1S/C12H20N2O3/c1-2-3-8-13-10(15)5-4-9-14-11(16)6-7-12(14)17/h2-9H2,1H3,(H,13,15)
InChIKeyFTUSTDGPRBGSEF-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.83
Rot. Bonds7

About N-butyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide

N-butyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide (PubChem CID 17035020) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-butyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-butyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide
PubChem CID17035020
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-butyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide
SMILESCCCCNC(=O)CCCN1C(=O)CCC1=O
InChIInChI=1S/C12H20N2O3/c1-2-3-8-13-10(15)5-4-9-14-11(16)6-7-12(14)17/h2-9H2,1H3,(H,13,15)
InChIKeyFTUSTDGPRBGSEF-UHFFFAOYSA-N
XLogP0.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[hydroxy(methyl)amino]ethyl]butanamide
CID 165403538
4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide
CID 90175962
3-(2,5-dioxopyrrolidin-1-yl)-N-(8-oxooctyl)propanamide
CID 173035040
6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid
CID 43352928
6-(2,5-dioxopyrrolidin-1-yl)-N-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]hexanamide;ethane;molecular hydrogen
CID 145076492
1-pentylazetidine-2,4-dione
CID 69124184
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
2-(cyclopropylmethylamino)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide;hydrochloride
CID 119777904
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide
CID 18724284
6-(butylamino)-6-oxohexanoic acid
CID 43529485
N-butyl-4-chlorobutanamide
CID 4218503

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-butyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide (CID 17035020) is N-butyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-butyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-butyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide is CCCCNC(=O)CCCN1C(=O)CCC1=O.
What is the InChIKey of N-butyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The InChIKey is FTUSTDGPRBGSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-3-8-13-10(15)5-4-9-14-11(16)6-7-12(14)17/h2-9H2,1H3,(H,13,15).
What are the key properties of N-butyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
N-butyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide has a molecular weight of 240.30 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 17035020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).