(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide

C21H23N3O4 — CID 35753646

IUPAC(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C21H23N3O4/c25-19-12-16(13-24(19)14-18-4-3-11-28-18)20(26)22-17-7-5-15(6-8-17)21(27)23-9-1-2-10-23/h3-8,11,16H,1-2,9-10,12-14H2,(H,22,26)/t16-/m1/s1
InChIKeyKETAJHKCKSRQHR-MRXNPFEDSA-N
MW381.43 g/mol
LogP2.50
Rot. Bonds5

About (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide

(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 35753646) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID35753646
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C21H23N3O4/c25-19-12-16(13-24(19)14-18-4-3-11-28-18)20(26)22-17-7-5-15(6-8-17)21(27)23-9-1-2-10-23/h3-8,11,16H,1-2,9-10,12-14H2,(H,22,26)/t16-/m1/s1
InChIKeyKETAJHKCKSRQHR-MRXNPFEDSA-N
XLogP2.50
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 17390517
(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39314628
(3R)-N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 6931900
1-(furan-2-ylmethyl)-5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55887280
N-[4-(tert-butylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55549537
1-(furan-2-ylmethyl)-5-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 112815033
N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55341921
(3S)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 7987637
1-(furan-2-ylmethyl)-5-oxo-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrrolidine-3-carboxamide
CID 75801363
N-(3-acetylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 18077896
1-(furan-2-ylmethyl)-5-oxo-N-(4-pyrimidin-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 55920995

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide (CID 35753646) is (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is KETAJHKCKSRQHR-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N3O4/c25-19-12-16(13-24(19)14-18-4-3-11-28-18)20(26)22-17-7-5-15(6-8-17)21(27)23-9-1-2-10-23/h3-8,11,16H,1-2,9-10,12-14H2,(H,22,26)/t16-/m1/s1.
What are the key properties of (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 35753646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).