5-acetyl-2,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-carboxamide

C15H22N2O3 — CID 91789541

IUPAC5-acetyl-2,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-carboxamide
SMILESCC(=O)c1[nH]c(C)c(C(=O)NCCC2CCOC2)c1C
InChIInChI=1S/C15H22N2O3/c1-9-13(10(2)17-14(9)11(3)18)15(19)16-6-4-12-5-7-20-8-12/h12,17H,4-8H2,1-3H3,(H,16,19)
InChIKeyFBYVLPYNJCKSBF-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.99
Rot. Bonds5

About 5-acetyl-2,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-carboxamide

5-acetyl-2,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-carboxamide (PubChem CID 91789541) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-acetyl-2,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-2,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-carboxamide
PubChem CID91789541
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name5-acetyl-2,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-carboxamide
SMILESCC(=O)c1[nH]c(C)c(C(=O)NCCC2CCOC2)c1C
InChIInChI=1S/C15H22N2O3/c1-9-13(10(2)17-14(9)11(3)18)15(19)16-6-4-12-5-7-20-8-12/h12,17H,4-8H2,1-3H3,(H,16,19)
InChIKeyFBYVLPYNJCKSBF-UHFFFAOYSA-N
XLogP1.99
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-2-carboxamide
CID 119536524
2,6-dimethyl-4-oxo-N-[3-[(3R)-oxolan-3-yl]propyl]-1H-pyridine-3-carboxamide
CID 126436385
4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 126447960
4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 114131493
2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-sulfanylbenzamide
CID 114130503
2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide
CID 114219715
N-[2-(oxolan-3-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 114130505
5-acetyl-N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 50974704
2-hydrazinyl-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide
CID 114220716
5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide
CID 91776294
5-(difluoromethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 121495779
2-(4-methylsulfanylphenyl)-N-[2-(oxolan-3-yl)ethyl]acetamide
CID 91774733

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-acetyl-2,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-carboxamide (CID 91789541) is 5-acetyl-2,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-acetyl-2,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-acetyl-2,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-carboxamide is CC(=O)c1[nH]c(C)c(C(=O)NCCC2CCOC2)c1C.
What is the InChIKey of 5-acetyl-2,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-carboxamide?
The InChIKey is FBYVLPYNJCKSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9-13(10(2)17-14(9)11(3)18)15(19)16-6-4-12-5-7-20-8-12/h12,17H,4-8H2,1-3H3,(H,16,19).
What are the key properties of 5-acetyl-2,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-carboxamide?
5-acetyl-2,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 91789541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).