2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethyl-N-methylacetamide

C14H25N3O — CID 66406597

IUPAC2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1ccc(CNC(C)(C)C)c1
InChIInChI=1S/C14H25N3O/c1-6-16(5)13(18)11-17-8-7-12(10-17)9-15-14(2,3)4/h7-8,10,15H,6,9,11H2,1-5H3
InChIKeyFXSHIZFYUDBQQU-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.85
Rot. Bonds5

About 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethyl-N-methylacetamide

2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethyl-N-methylacetamide (PubChem CID 66406597) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethyl-N-methylacetamide
PubChem CID66406597
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1ccc(CNC(C)(C)C)c1
InChIInChI=1S/C14H25N3O/c1-6-16(5)13(18)11-17-8-7-12(10-17)9-15-14(2,3)4/h7-8,10,15H,6,9,11H2,1-5H3
InChIKeyFXSHIZFYUDBQQU-UHFFFAOYSA-N
XLogP1.85
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(ethylaminomethyl)pyrrol-1-yl]-N,N-dimethylacetamide
CID 66405923
N-ethyl-N-methyl-2-(3-propanoylpyrrol-1-yl)acetamide
CID 79099192
2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-1-morpholin-4-ylethanone
CID 66403976
2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide
CID 66405385
N-cyclopropyl-N-ethyl-2-[3-(methylaminomethyl)pyrrol-1-yl]acetamide
CID 66406717
N-[[1-(3,3-dimethylbutyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66404786
2-[3-(aminomethyl)pyrrol-1-yl]-N,N-diethylacetamide
CID 66408410
N-ethyl-N-methyl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79097566
2-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide
CID 66397768
N-[[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66404585
N-[[1-(2-tert-butylsulfonylethyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 106717726
2-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 66404386

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethyl-N-methylacetamide (CID 66406597) is 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethyl-N-methylacetamide is CCN(C)C(=O)Cn1ccc(CNC(C)(C)C)c1.
What is the InChIKey of 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethyl-N-methylacetamide?
The InChIKey is FXSHIZFYUDBQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-16(5)13(18)11-17-8-7-12(10-17)9-15-14(2,3)4/h7-8,10,15H,6,9,11H2,1-5H3.
What are the key properties of 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethyl-N-methylacetamide?
2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethyl-N-methylacetamide has a molecular weight of 251.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 66406597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).