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

C19H26N2O4 — CID 95325019

IUPAC4-acetyl-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)N[C@H](COCC(C)C)c2ccco2)c1C
InChIInChI=1S/C19H26N2O4/c1-11(2)9-24-10-15(16-7-6-8-25-16)21-19(23)18-12(3)17(14(5)22)13(4)20-18/h6-8,11,15,20H,9-10H2,1-5H3,(H,21,23)/t15-/m1/s1
InChIKeyGAUXBMUMQWKVGP-OAHLLOKOSA-N
MW346.43 g/mol
LogP3.57
Rot. Bonds8

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

4-acetyl-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 95325019) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-acetyl-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID95325019
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name4-acetyl-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)N[C@H](COCC(C)C)c2ccco2)c1C
InChIInChI=1S/C19H26N2O4/c1-11(2)9-24-10-15(16-7-6-8-25-16)21-19(23)18-12(3)17(14(5)22)13(4)20-18/h6-8,11,15,20H,9-10H2,1-5H3,(H,21,23)/t15-/m1/s1
InChIKeyGAUXBMUMQWKVGP-OAHLLOKOSA-N
XLogP3.57
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[furan-2-yl(phenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 134029345
4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 18136913
N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-2-methylfuran-3-carboxamide
CID 95293966
N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 94818587
4-acetyl-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 47082113
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyrazine-2-carboxamide
CID 51105520
4,5-dibromo-N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]thiophene-2-carboxamide
CID 52513156
4-acetyl-3,5-dimethyl-N-(2-methyl-1-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 46530467
4-acetyl-N-[(2S)-1-aminopropan-2-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 120507986
4-acetyl-3,5-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 134043470
1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]triazole-4-carboxamide
CID 95343414
[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-(furan-2-ylmethyl)-methylazanium
CID 8621204

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 95325019) is 4-acetyl-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)N[C@H](COCC(C)C)c2ccco2)c1C.
What is the InChIKey of 4-acetyl-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is GAUXBMUMQWKVGP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-11(2)9-24-10-15(16-7-6-8-25-16)21-19(23)18-12(3)17(14(5)22)13(4)20-18/h6-8,11,15,20H,9-10H2,1-5H3,(H,21,23)/t15-/m1/s1.
What are the key properties of 4-acetyl-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 95325019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).