(2S,4R)-4-[(2-ethoxyacetyl)amino]-N,N-diethyl-1-(furan-3-carbonyl)pyrrolidine-2-carboxamide

C18H27N3O5 — CID 72884874

IUPAC(2S,4R)-4-[(2-ethoxyacetyl)amino]-N,N-diethyl-1-(furan-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCCOCC(=O)N[C@@H]1C[C@@H](C(=O)N(CC)CC)N(C(=O)c2ccoc2)C1
InChIInChI=1S/C18H27N3O5/c1-4-20(5-2)18(24)15-9-14(19-16(22)12-25-6-3)10-21(15)17(23)13-7-8-26-11-13/h7-8,11,14-15H,4-6,9-10,12H2,1-3H3,(H,19,22)/t14-,15+/m1/s1
InChIKeyMCKCUPNDOCRTRL-CABCVRRESA-N
MW365.43 g/mol
LogP0.88
Rot. Bonds8

About (2S,4R)-4-[(2-ethoxyacetyl)amino]-N,N-diethyl-1-(furan-3-carbonyl)pyrrolidine-2-carboxamide

(2S,4R)-4-[(2-ethoxyacetyl)amino]-N,N-diethyl-1-(furan-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 72884874) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is (2S,4R)-4-[(2-ethoxyacetyl)amino]-N,N-diethyl-1-(furan-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-[(2-ethoxyacetyl)amino]-N,N-diethyl-1-(furan-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID72884874
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC Name(2S,4R)-4-[(2-ethoxyacetyl)amino]-N,N-diethyl-1-(furan-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCCOCC(=O)N[C@@H]1C[C@@H](C(=O)N(CC)CC)N(C(=O)c2ccoc2)C1
InChIInChI=1S/C18H27N3O5/c1-4-20(5-2)18(24)15-9-14(19-16(22)12-25-6-3)10-21(15)17(23)13-7-8-26-11-13/h7-8,11,14-15H,4-6,9-10,12H2,1-3H3,(H,19,22)/t14-,15+/m1/s1
InChIKeyMCKCUPNDOCRTRL-CABCVRRESA-N
XLogP0.88
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-N,N-diethyl-1-(4-fluorobenzoyl)-4-[(2-methoxyacetyl)amino]pyrrolidine-2-carboxamide
CID 72837789
(2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-[(E)-pent-3-enoyl]pyrrolidine-2-carboxamide
CID 72894334
(2S,4R)-N,N-diethyl-4-[(2-propan-2-yloxyacetyl)amino]-1-(1H-pyrazole-5-carbonyl)pyrrolidine-2-carboxamide
CID 72846828
(2S,4S)-N,N-diethyl-1-(3-fluorobenzoyl)-4-[(2-hydroxyacetyl)amino]pyrrolidine-2-carboxamide
CID 72864361
(2S,4R)-N,N-diethyl-1-(3-methylimidazole-4-carbonyl)-4-(propanoylamino)pyrrolidine-2-carboxamide
CID 72839804
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 72924623
N-[(3R,5S)-5-(diethylcarbamoyl)-1-(3-hydroxypropanoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 72854792
N-ethyl-4-(furan-3-carbonylamino)-1-(3-pyrrol-1-ylpropanoyl)pyrrolidine-2-carboxamide
CID 156604350
(2S,4R)-1-cyclopentyl-N,N-diethyl-4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]pyrrolidine-2-carboxamide
CID 72852321
N-[(3R,5S)-1-(cyclobutanecarbonyl)-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide
CID 72924058
N-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 156605980
(2S,4S)-4-amino-N,N-diethyl-1-(2-methoxypyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
CID 56720191

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[(2-ethoxyacetyl)amino]-N,N-diethyl-1-(furan-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-[(2-ethoxyacetyl)amino]-N,N-diethyl-1-(furan-3-carbonyl)pyrrolidine-2-carboxamide (CID 72884874) is (2S,4R)-4-[(2-ethoxyacetyl)amino]-N,N-diethyl-1-(furan-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-[(2-ethoxyacetyl)amino]-N,N-diethyl-1-(furan-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-[(2-ethoxyacetyl)amino]-N,N-diethyl-1-(furan-3-carbonyl)pyrrolidine-2-carboxamide is CCOCC(=O)N[C@@H]1C[C@@H](C(=O)N(CC)CC)N(C(=O)c2ccoc2)C1.
What is the InChIKey of (2S,4R)-4-[(2-ethoxyacetyl)amino]-N,N-diethyl-1-(furan-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is MCKCUPNDOCRTRL-CABCVRRESA-N. The full InChI is InChI=1S/C18H27N3O5/c1-4-20(5-2)18(24)15-9-14(19-16(22)12-25-6-3)10-21(15)17(23)13-7-8-26-11-13/h7-8,11,14-15H,4-6,9-10,12H2,1-3H3,(H,19,22)/t14-,15+/m1/s1.
What are the key properties of (2S,4R)-4-[(2-ethoxyacetyl)amino]-N,N-diethyl-1-(furan-3-carbonyl)pyrrolidine-2-carboxamide?
(2S,4R)-4-[(2-ethoxyacetyl)amino]-N,N-diethyl-1-(furan-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[(2-ethoxyacetyl)amino]-N,N-diethyl-1-(furan-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 72884874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).