2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-1-morpholin-4-ylethanone

C15H25N3O2 — CID 66403976

IUPAC2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-1-morpholin-4-ylethanone
SMILESCC(C)(C)NCc1ccn(CC(=O)N2CCOCC2)c1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)16-10-13-4-5-17(11-13)12-14(19)18-6-8-20-9-7-18/h4-5,11,16H,6-10,12H2,1-3H3
InChIKeyWXYVTYGCFKIJBW-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.24
Rot. Bonds4

About 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-1-morpholin-4-ylethanone

2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 66403976) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-1-morpholin-4-ylethanone
PubChem CID66403976
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-1-morpholin-4-ylethanone
SMILESCC(C)(C)NCc1ccn(CC(=O)N2CCOCC2)c1
InChIInChI=1S/C15H25N3O2/c1-15(2,3)16-10-13-4-5-17(11-13)12-14(19)18-6-8-20-9-7-18/h4-5,11,16H,6-10,12H2,1-3H3
InChIKeyWXYVTYGCFKIJBW-UHFFFAOYSA-N
XLogP1.24
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 66406201
2-[3-(methylaminomethyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone
CID 66405103
2-[3-(1-hydroxypropyl)pyrrol-1-yl]-1-morpholin-4-ylethanone
CID 79105732
2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethyl-N-methylacetamide
CID 66406597
2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide
CID 66405385
1-morpholin-4-yl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethanone
CID 79109647
2-[3-(hydroxymethyl)pyrrol-1-yl]-1-piperidin-1-ylethanone
CID 66400366
2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-1-piperidin-1-ylethanone
CID 66402034
4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300
2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrol-1-yl]-1-morpholin-4-ylethanone
CID 91827624
2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylethanone
CID 103746720
1-morpholin-4-yl-2-(4-nitroimidazol-1-yl)ethanone
CID 820115

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-1-morpholin-4-ylethanone (CID 66403976) is 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-1-morpholin-4-ylethanone is CC(C)(C)NCc1ccn(CC(=O)N2CCOCC2)c1.
What is the InChIKey of 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is WXYVTYGCFKIJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,3)16-10-13-4-5-17(11-13)12-14(19)18-6-8-20-9-7-18/h4-5,11,16H,6-10,12H2,1-3H3.
What are the key properties of 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-1-morpholin-4-ylethanone?
2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 279.38 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 66403976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).