(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

C19H21N3O4 — CID 42879455

IUPAC(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCNC(=O)[C@H]1CCCN1C(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C19H21N3O4/c23-17(14-6-2-1-3-7-14)20-10-11-21-18(24)15-8-4-12-22(15)19(25)16-9-5-13-26-16/h1-3,5-7,9,13,15H,4,8,10-12H2,(H,20,23)(H,21,24)/t15-/m1/s1
InChIKeyRGAWNYQBZZMLJG-OAHLLOKOSA-N
MW355.39 g/mol
LogP1.43
Rot. Bonds6

About (2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 42879455) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is (2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID42879455
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCNC(=O)[C@H]1CCCN1C(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C19H21N3O4/c23-17(14-6-2-1-3-7-14)20-10-11-21-18(24)15-8-4-12-22(15)19(25)16-9-5-13-26-16/h1-3,5-7,9,13,15H,4,8,10-12H2,(H,20,23)(H,21,24)/t15-/m1/s1
InChIKeyRGAWNYQBZZMLJG-OAHLLOKOSA-N
XLogP1.43
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-benzoyl-1-(furan-2-carbonyl)pyrrolidine-2-carbohydrazide
CID 24658797
N-[3-(benzenesulfonyl)propyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 166198860
4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid
CID 119170892
(2R)-N-(2-benzamidoethyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 24720617
(2S)-1-benzoyl-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 39984741
N-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 136578492
(2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 94816747
1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 51089877
(2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide
CID 32581229
(2S)-N-(2-benzamidoethyl)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 51066683
benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate
CID 60552080
(2S)-N-(2-benzamidoethyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide
CID 51071464

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide (CID 42879455) is (2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is O=C(NCCNC(=O)[C@H]1CCCN1C(=O)c1ccco1)c1ccccc1.
What is the InChIKey of (2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is RGAWNYQBZZMLJG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-17(14-6-2-1-3-7-14)20-10-11-21-18(24)15-8-4-12-22(15)19(25)16-9-5-13-26-16/h1-3,5-7,9,13,15H,4,8,10-12H2,(H,20,23)(H,21,24)/t15-/m1/s1.
What are the key properties of (2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide?
(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42879455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).