2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-pentan-2-ylacetamide

C16H29N3O — CID 79109116

IUPAC2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1ccc(C(CCC)NC)c1
InChIInChI=1S/C16H29N3O/c1-5-7-13(3)18-16(20)12-19-10-9-14(11-19)15(17-4)8-6-2/h9-11,13,15,17H,5-8,12H2,1-4H3,(H,18,20)
InChIKeyFCHBGOFVRQXMFG-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.85
Rot. Bonds9

About 2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-pentan-2-ylacetamide

2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-pentan-2-ylacetamide (PubChem CID 79109116) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
PubChem CID79109116
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1ccc(C(CCC)NC)c1
InChIInChI=1S/C16H29N3O/c1-5-7-13(3)18-16(20)12-19-10-9-14(11-19)15(17-4)8-6-2/h9-11,13,15,17H,5-8,12H2,1-4H3,(H,18,20)
InChIKeyFCHBGOFVRQXMFG-UHFFFAOYSA-N
XLogP2.85
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetamide
CID 79107959
ethyl 2-[3-[1-(methylamino)butyl]pyrrol-1-yl]acetate
CID 79110034
2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
CID 79108233
2-[3-(aminomethyl)pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 66408404
N-ethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide
CID 79109894
3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanamide
CID 79109897
2-(3-amino-4-oxo-1-pyridinyl)-N-pentan-2-ylacetamide
CID 82992568
2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(3-methylbutyl)acetamide
CID 79105588
N-pentan-2-yl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
CID 66403928
methyl 2,2-dimethyl-3-[3-[1-(methylamino)butyl]pyrrol-1-yl]propanoate
CID 79621887
N-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79109807
N-(1-methoxypropan-2-yl)-2-[3-[2-methyl-1-(methylamino)propyl]pyrrol-1-yl]acetamide
CID 79097898

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-pentan-2-ylacetamide (CID 79109116) is 2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1ccc(C(CCC)NC)c1.
What is the InChIKey of 2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-pentan-2-ylacetamide?
The InChIKey is FCHBGOFVRQXMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-7-13(3)18-16(20)12-19-10-9-14(11-19)15(17-4)8-6-2/h9-11,13,15,17H,5-8,12H2,1-4H3,(H,18,20).
What are the key properties of 2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-pentan-2-ylacetamide?
2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-pentan-2-ylacetamide has a molecular weight of 279.43 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-pentan-2-ylacetamide is sourced from PubChem (CID 79109116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).