2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide

C11H18N2O — CID 110782649

IUPAC2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
SMILESCCC(CC)C(=O)NCc1cc[nH]c1
InChIInChI=1S/C11H18N2O/c1-3-10(4-2)11(14)13-8-9-5-6-12-7-9/h5-7,10,12H,3-4,8H2,1-2H3,(H,13,14)
InChIKeyAVUOXCDFIXPMAL-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.07
Rot. Bonds5

About 2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide

2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide (PubChem CID 110782649) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
PubChem CID110782649
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
SMILESCCC(CC)C(=O)NCc1cc[nH]c1
InChIInChI=1S/C11H18N2O/c1-3-10(4-2)11(14)13-8-9-5-6-12-7-9/h5-7,10,12H,3-4,8H2,1-2H3,(H,13,14)
InChIKeyAVUOXCDFIXPMAL-UHFFFAOYSA-N
XLogP2.07
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(methylaminomethyl)-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 115188874
2-(aminomethyl)-4,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 114181967
3-(ethylamino)-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384852
(2S)-2-amino-3-methyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 106384810
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638
(2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 106384847
2-cyano-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384976
2-bromo-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384571
(2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384795
3-amino-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384830
2-chloro-2-phenyl-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384564
3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385639

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide?
The IUPAC name of 2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide (CID 110782649) is 2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide?
The canonical SMILES for 2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide is CCC(CC)C(=O)NCc1cc[nH]c1.
What is the InChIKey of 2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide?
The InChIKey is AVUOXCDFIXPMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-10(4-2)11(14)13-8-9-5-6-12-7-9/h5-7,10,12H,3-4,8H2,1-2H3,(H,13,14).
What are the key properties of 2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide?
2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide has a molecular weight of 194.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide is sourced from PubChem (CID 110782649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).