[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate

C22H24N2O4 — CID 8514999

IUPAC[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SMILESCc1cc(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)c(C)n1Cc1ccco1
InChIInChI=1S/C22H24N2O4/c1-15-13-19(16(2)24(15)14-18-11-8-12-27-18)22(26)28-20(21(25)23(3)4)17-9-6-5-7-10-17/h5-13,20H,14H2,1-4H3/t20-/m1/s1
InChIKeyOKAVCNXOGPPACQ-HXUWFJFHSA-N
MW380.44 g/mol
LogP3.73
Rot. Bonds6

About [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate

[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate (PubChem CID 8514999) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Name[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
PubChem CID8514999
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
SMILESCc1cc(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)c(C)n1Cc1ccco1
InChIInChI=1S/C22H24N2O4/c1-15-13-19(16(2)24(15)14-18-11-8-12-27-18)22(26)28-20(21(25)23(3)4)17-9-6-5-7-10-17/h5-13,20H,14H2,1-4H3/t20-/m1/s1
InChIKeyOKAVCNXOGPPACQ-HXUWFJFHSA-N
XLogP3.73
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate with MolForge

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8732292
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8732261
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8732161
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
[(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 9384625
2-(2-fluorophenyl)sulfanyl-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 7484372
[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 9384614
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2659430
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8732224
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8732327
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8732198
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 51251275

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate?
The IUPAC name of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate (CID 8514999) is [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate.
What is the SMILES notation for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate?
The canonical SMILES for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate is Cc1cc(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)c(C)n1Cc1ccco1.
What is the InChIKey of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate?
The InChIKey is OKAVCNXOGPPACQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15-13-19(16(2)24(15)14-18-11-8-12-27-18)22(26)28-20(21(25)23(3)4)17-9-6-5-7-10-17/h5-13,20H,14H2,1-4H3/t20-/m1/s1.
What are the key properties of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate?
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate has a molecular weight of 380.44 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate is sourced from PubChem (CID 8514999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).