2-[ethyl-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]amino]-N,N-dimethylacetamide

C13H21N3O2 — CID 62037280

IUPAC2-[ethyl-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)c1ccn(C)c1)CC(=O)N(C)C
InChIInChI=1S/C13H21N3O2/c1-5-16(10-13(18)14(2)3)9-12(17)11-6-7-15(4)8-11/h6-8H,5,9-10H2,1-4H3
InChIKeyPKVLVHFFOOZHDO-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.62
Rot. Bonds6

About 2-[ethyl-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]amino]-N,N-dimethylacetamide

2-[ethyl-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]amino]-N,N-dimethylacetamide (PubChem CID 62037280) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[ethyl-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[ethyl-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]amino]-N,N-dimethylacetamide
PubChem CID62037280
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[ethyl-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)c1ccn(C)c1)CC(=O)N(C)C
InChIInChI=1S/C13H21N3O2/c1-5-16(10-13(18)14(2)3)9-12(17)11-6-7-15(4)8-11/h6-8H,5,9-10H2,1-4H3
InChIKeyPKVLVHFFOOZHDO-UHFFFAOYSA-N
XLogP0.62
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[ethyl-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]amino]-N,N-dimethylacetamide (CID 62037280) is 2-[ethyl-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[ethyl-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[ethyl-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]amino]-N,N-dimethylacetamide is CCN(CC(=O)c1ccn(C)c1)CC(=O)N(C)C.
What is the InChIKey of 2-[ethyl-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]amino]-N,N-dimethylacetamide?
The InChIKey is PKVLVHFFOOZHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-5-16(10-13(18)14(2)3)9-12(17)11-6-7-15(4)8-11/h6-8H,5,9-10H2,1-4H3.
What are the key properties of 2-[ethyl-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]amino]-N,N-dimethylacetamide?
2-[ethyl-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]amino]-N,N-dimethylacetamide has a molecular weight of 251.33 g/mol, XLogP of 0.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 62037280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).