(2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-methylpyrrolidine-2-carboxamide

C15H23N3O3 — CID 72875045

IUPAC(2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-methylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccoc2)CN1C
InChIInChI=1S/C15H23N3O3/c1-4-18(5-2)15(20)13-8-12(9-17(13)3)16-14(19)11-6-7-21-10-11/h6-7,10,12-13H,4-5,8-9H2,1-3H3,(H,16,19)/t12-,13+/m1/s1
InChIKeyUIKLYEWQQVZFSC-OLZOCXBDSA-N
MW293.37 g/mol
LogP0.95
Rot. Bonds5

About (2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-methylpyrrolidine-2-carboxamide

(2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-methylpyrrolidine-2-carboxamide (PubChem CID 72875045) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-methylpyrrolidine-2-carboxamide
PubChem CID72875045
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-methylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccoc2)CN1C
InChIInChI=1S/C15H23N3O3/c1-4-18(5-2)15(20)13-8-12(9-17(13)3)16-14(19)11-6-7-21-10-11/h6-7,10,12-13H,4-5,8-9H2,1-3H3,(H,16,19)/t12-,13+/m1/s1
InChIKeyUIKLYEWQQVZFSC-OLZOCXBDSA-N
XLogP0.95
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-methylpyrrolidine-2-carboxamide (CID 72875045) is (2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-methylpyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccoc2)CN1C.
What is the InChIKey of (2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-methylpyrrolidine-2-carboxamide?
The InChIKey is UIKLYEWQQVZFSC-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-18(5-2)15(20)13-8-12(9-17(13)3)16-14(19)11-6-7-21-10-11/h6-7,10,12-13H,4-5,8-9H2,1-3H3,(H,16,19)/t12-,13+/m1/s1.
What are the key properties of (2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-methylpyrrolidine-2-carboxamide?
(2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-methylpyrrolidine-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 72875045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).