4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-(3-methylbutyl)butanamide

C13H22N2O3 — CID 130219582

IUPAC4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-(3-methylbutyl)butanamide
SMILESCC(C)CCNC(=O)CCCN1C(=O)C=CC1O
InChIInChI=1S/C13H22N2O3/c1-10(2)7-8-14-11(16)4-3-9-15-12(17)5-6-13(15)18/h5-6,10,12,17H,3-4,7-9H2,1-2H3,(H,14,16)
InChIKeyKFMNWSVQTJRZQY-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.65
Rot. Bonds7

About 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-(3-methylbutyl)butanamide

4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-(3-methylbutyl)butanamide (PubChem CID 130219582) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-(3-methylbutyl)butanamide.

Molecular Properties

Compound Name4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-(3-methylbutyl)butanamide
PubChem CID130219582
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-(3-methylbutyl)butanamide
SMILESCC(C)CCNC(=O)CCCN1C(=O)C=CC1O
InChIInChI=1S/C13H22N2O3/c1-10(2)7-8-14-11(16)4-3-9-15-12(17)5-6-13(15)18/h5-6,10,12,17H,3-4,7-9H2,1-2H3,(H,14,16)
InChIKeyKFMNWSVQTJRZQY-UHFFFAOYSA-N
XLogP0.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide
CID 121327484
6-[3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanoylamino]-2-methylhexanamide
CID 23526545
6-[2-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)ethylamino]-6-oxohexanoic acid
CID 139417671
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-[2-(2-methoxyethylsulfonyl)ethyl]propanamide
CID 156532724
6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)hexanamide
CID 78328368
2-hydroxy-1-propyl-2H-pyrrol-5-one
CID 135175817
N-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide
CID 110688182
1-(3-amino-3-hydroxypropyl)-2-hydroxy-2H-pyrrol-5-one
CID 126589528
ethane;N-(3-methylbutyl)octadecanamide
CID 172601405
4-hydroxy-N-(3-methylbutyl)pentanamide
CID 79001671
N-(3-methylbutyl)-4-(3-oxo-1,4-benzoxazin-4-yl)butanamide
CID 42787992

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-(3-methylbutyl)butanamide?
The IUPAC name of 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-(3-methylbutyl)butanamide (CID 130219582) is 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-(3-methylbutyl)butanamide.
What is the SMILES notation for 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-(3-methylbutyl)butanamide?
The canonical SMILES for 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-(3-methylbutyl)butanamide is CC(C)CCNC(=O)CCCN1C(=O)C=CC1O.
What is the InChIKey of 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-(3-methylbutyl)butanamide?
The InChIKey is KFMNWSVQTJRZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-10(2)7-8-14-11(16)4-3-9-15-12(17)5-6-13(15)18/h5-6,10,12,17H,3-4,7-9H2,1-2H3,(H,14,16).
What are the key properties of 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-(3-methylbutyl)butanamide?
4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-(3-methylbutyl)butanamide has a molecular weight of 254.33 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)-N-(3-methylbutyl)butanamide is sourced from PubChem (CID 130219582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).