1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(3-methoxypropylamino)ethanone

C15H26N2O2 — CID 110653995

IUPAC1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(3-methoxypropylamino)ethanone
SMILESCOCCCNCC(=O)c1cc(C)n(C(C)C)c1C
InChIInChI=1S/C15H26N2O2/c1-11(2)17-12(3)9-14(13(17)4)15(18)10-16-7-6-8-19-5/h9,11,16H,6-8,10H2,1-5H3
InChIKeyNTUPXSWVYXWTKX-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.49
Rot. Bonds8

About 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(3-methoxypropylamino)ethanone

1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(3-methoxypropylamino)ethanone (PubChem CID 110653995) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(3-methoxypropylamino)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(3-methoxypropylamino)ethanone
PubChem CID110653995
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(3-methoxypropylamino)ethanone
SMILESCOCCCNCC(=O)c1cc(C)n(C(C)C)c1C
InChIInChI=1S/C15H26N2O2/c1-11(2)17-12(3)9-14(13(17)4)15(18)10-16-7-6-8-19-5/h9,11,16H,6-8,10H2,1-5H3
InChIKeyNTUPXSWVYXWTKX-UHFFFAOYSA-N
XLogP2.49
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110698914
2-(benzylamino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654006
2-[2-(3-chlorophenyl)ethylamino]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654055
2-(3,5-dimethylanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654067
2-(3,5-dichloroanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654146
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone
CID 110654033
2-(2,4-dimethoxyanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654104
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(1-phenylethylamino)ethanone
CID 110654010
1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-(2-methoxyethylamino)ethanone
CID 110654545
2-(butylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110653824
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2,2,2-trifluoroethanone
CID 82495978
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(2-propan-2-yloxyanilino)ethanone
CID 110654101

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(3-methoxypropylamino)ethanone?
The IUPAC name of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(3-methoxypropylamino)ethanone (CID 110653995) is 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(3-methoxypropylamino)ethanone.
What is the SMILES notation for 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(3-methoxypropylamino)ethanone?
The canonical SMILES for 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(3-methoxypropylamino)ethanone is COCCCNCC(=O)c1cc(C)n(C(C)C)c1C.
What is the InChIKey of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(3-methoxypropylamino)ethanone?
The InChIKey is NTUPXSWVYXWTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11(2)17-12(3)9-14(13(17)4)15(18)10-16-7-6-8-19-5/h9,11,16H,6-8,10H2,1-5H3.
What are the key properties of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(3-methoxypropylamino)ethanone?
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(3-methoxypropylamino)ethanone has a molecular weight of 266.38 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(3-methoxypropylamino)ethanone is sourced from PubChem (CID 110653995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).