2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide

C15H23N3O2 — CID 66405369

IUPAC2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
SMILESO=C(Cn1ccc(CNC2CC2)c1)NC1CCOCC1
InChIInChI=1S/C15H23N3O2/c19-15(17-14-4-7-20-8-5-14)11-18-6-3-12(10-18)9-16-13-1-2-13/h3,6,10,13-14,16H,1-2,4-5,7-9,11H2,(H,17,19)
InChIKeyQTIQGUKZYVYJRW-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.04
Rot. Bonds6

About 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide

2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide (PubChem CID 66405369) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
PubChem CID66405369
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
SMILESO=C(Cn1ccc(CNC2CC2)c1)NC1CCOCC1
InChIInChI=1S/C15H23N3O2/c19-15(17-14-4-7-20-8-5-14)11-18-6-3-12(10-18)9-16-13-1-2-13/h3,6,10,13-14,16H,1-2,4-5,7-9,11H2,(H,17,19)
InChIKeyQTIQGUKZYVYJRW-UHFFFAOYSA-N
XLogP1.04
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide
CID 66404977
N-cyclopropyl-2-[3-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66406741
N-tert-butyl-2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetamide
CID 66404152
2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide
CID 66404151
methyl 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]acetate
CID 66404148
N-[(1-methylpyrrol-3-yl)methyl]oxan-4-amine
CID 66397450
2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(oxan-4-yl)acetamide
CID 66192627
N-(oxan-4-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79109161
2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
CID 79108233
3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide
CID 66405366
N-cyclopropyl-3-[3-(ethylaminomethyl)pyrrol-1-yl]propanamide
CID 66404307
2-(4-formylimidazol-1-yl)-N-(oxan-4-yl)acetamide
CID 106716532

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide (CID 66405369) is 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide is O=C(Cn1ccc(CNC2CC2)c1)NC1CCOCC1.
What is the InChIKey of 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is QTIQGUKZYVYJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-15(17-14-4-7-20-8-5-14)11-18-6-3-12(10-18)9-16-13-1-2-13/h3,6,10,13-14,16H,1-2,4-5,7-9,11H2,(H,17,19).
What are the key properties of 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide?
2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 66405369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).