(2R)-1-(furan-2-carbonyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide

C22H27N3O4 — CID 51966665

IUPAC(2R)-1-(furan-2-carbonyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(CCN2CCOCC2)cc1)[C@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C22H27N3O4/c26-21(19-3-1-10-25(19)22(27)20-4-2-14-29-20)23-18-7-5-17(6-8-18)9-11-24-12-15-28-16-13-24/h2,4-8,14,19H,1,3,9-13,15-16H2,(H,23,26)/t19-/m1/s1
InChIKeyYLNIXBAVZBXCHT-LJQANCHMSA-N
MW397.48 g/mol
LogP2.40
Rot. Bonds6

About (2R)-1-(furan-2-carbonyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide

(2R)-1-(furan-2-carbonyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 51966665) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is (2R)-1-(furan-2-carbonyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(furan-2-carbonyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID51966665
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name(2R)-1-(furan-2-carbonyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(CCN2CCOCC2)cc1)[C@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C22H27N3O4/c26-21(19-3-1-10-25(19)22(27)20-4-2-14-29-20)23-18-7-5-17(6-8-18)9-11-24-12-15-28-16-13-24/h2,4-8,14,19H,1,3,9-13,15-16H2,(H,23,26)/t19-/m1/s1
InChIKeyYLNIXBAVZBXCHT-LJQANCHMSA-N
XLogP2.40
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 102603994
1-(furan-2-carbonyl)-N-[4-(4-methylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 24658906
1-(furan-2-carbonyl)-N-[4-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide
CID 55675227
(2S)-1-(furan-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 46420968
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51191794
(2R)-N-(3-acetamidophenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51980891
1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 71902260
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24658971
1-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 42923415
butyl 4-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate
CID 24658807
(2R)-N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 32821866

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(furan-2-carbonyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(furan-2-carbonyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide (CID 51966665) is (2R)-1-(furan-2-carbonyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(furan-2-carbonyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(furan-2-carbonyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(CCN2CCOCC2)cc1)[C@H]1CCCN1C(=O)c1ccco1.
What is the InChIKey of (2R)-1-(furan-2-carbonyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is YLNIXBAVZBXCHT-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27N3O4/c26-21(19-3-1-10-25(19)22(27)20-4-2-14-29-20)23-18-7-5-17(6-8-18)9-11-24-12-15-28-16-13-24/h2,4-8,14,19H,1,3,9-13,15-16H2,(H,23,26)/t19-/m1/s1.
What are the key properties of (2R)-1-(furan-2-carbonyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide?
(2R)-1-(furan-2-carbonyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(furan-2-carbonyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 51966665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).