N-ethyl-N-methyl-2-(3-propanoylpyrrol-1-yl)acetamide

C12H18N2O2 — CID 79099192

IUPACN-ethyl-N-methyl-2-(3-propanoylpyrrol-1-yl)acetamide
SMILESCCC(=O)c1ccn(CC(=O)N(C)CC)c1
InChIInChI=1S/C12H18N2O2/c1-4-11(15)10-6-7-14(8-10)9-12(16)13(3)5-2/h6-8H,4-5,9H2,1-3H3
InChIKeyAZUOERNDWMGQTM-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.56
Rot. Bonds5

About N-ethyl-N-methyl-2-(3-propanoylpyrrol-1-yl)acetamide

N-ethyl-N-methyl-2-(3-propanoylpyrrol-1-yl)acetamide (PubChem CID 79099192) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(3-propanoylpyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(3-propanoylpyrrol-1-yl)acetamide
PubChem CID79099192
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-ethyl-N-methyl-2-(3-propanoylpyrrol-1-yl)acetamide
SMILESCCC(=O)c1ccn(CC(=O)N(C)CC)c1
InChIInChI=1S/C12H18N2O2/c1-4-11(15)10-6-7-14(8-10)9-12(16)13(3)5-2/h6-8H,4-5,9H2,1-3H3
InChIKeyAZUOERNDWMGQTM-UHFFFAOYSA-N
XLogP1.56
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-propanoylpyrrol-1-yl)acetate
CID 79098187
1-[1-(2-methylprop-2-enyl)pyrrol-3-yl]propan-1-one
CID 79098631
1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]propan-1-one
CID 79099398
1-[1-(2,3-dichloroprop-2-enyl)pyrrol-3-yl]propan-1-one
CID 79172884
2-(3-butanoylpyrrol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 79108707
1-[2-(diethylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 79103521
2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethyl-N-methylacetamide
CID 66406597
N-ethyl-N-methyl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79097566
N-(4-chlorophenyl)-2-(3-propanoylpyrrol-1-yl)acetamide
CID 79098178
1-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-one
CID 79098872
N-(3-methoxypropyl)-2-(3-propanoylpyrrol-1-yl)acetamide
CID 79099198
1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-one
CID 79098419

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(3-propanoylpyrrol-1-yl)acetamide?
The IUPAC name of N-ethyl-N-methyl-2-(3-propanoylpyrrol-1-yl)acetamide (CID 79099192) is N-ethyl-N-methyl-2-(3-propanoylpyrrol-1-yl)acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-(3-propanoylpyrrol-1-yl)acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-(3-propanoylpyrrol-1-yl)acetamide is CCC(=O)c1ccn(CC(=O)N(C)CC)c1.
What is the InChIKey of N-ethyl-N-methyl-2-(3-propanoylpyrrol-1-yl)acetamide?
The InChIKey is AZUOERNDWMGQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-11(15)10-6-7-14(8-10)9-12(16)13(3)5-2/h6-8H,4-5,9H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-2-(3-propanoylpyrrol-1-yl)acetamide?
N-ethyl-N-methyl-2-(3-propanoylpyrrol-1-yl)acetamide has a molecular weight of 222.29 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(3-propanoylpyrrol-1-yl)acetamide is sourced from PubChem (CID 79099192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).