(2S)-1-(furan-2-carbonyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide

C16H18N2O4 — CID 32766924

IUPAC(2S)-1-(furan-2-carbonyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccco1)c1ccco1
InChIInChI=1S/C16H18N2O4/c1-11(13-6-3-9-21-13)17-15(19)12-5-2-8-18(12)16(20)14-7-4-10-22-14/h3-4,6-7,9-12H,2,5,8H2,1H3,(H,17,19)/t11-,12-/m0/s1
InChIKeyVBKBLTVROMZGAU-RYUDHWBXSA-N
MW302.33 g/mol
LogP2.35
Rot. Bonds4

About (2S)-1-(furan-2-carbonyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide

(2S)-1-(furan-2-carbonyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 32766924) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2S)-1-(furan-2-carbonyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(furan-2-carbonyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID32766924
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name(2S)-1-(furan-2-carbonyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccco1)c1ccco1
InChIInChI=1S/C16H18N2O4/c1-11(13-6-3-9-21-13)17-15(19)12-5-2-8-18(12)16(20)14-7-4-10-22-14/h3-4,6-7,9-12H,2,5,8H2,1H3,(H,17,19)/t11-,12-/m0/s1
InChIKeyVBKBLTVROMZGAU-RYUDHWBXSA-N
XLogP2.35
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-carbonyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 46399806
(2S)-1-(5-chloro-2-methoxybenzoyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 52530228
(2R)-N-(3-acetamidophenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51980891
N'-benzoyl-1-(furan-2-carbonyl)pyrrolidine-2-carbohydrazide
CID 24658797
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51191794
(2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide
CID 32581229
(2R)-N-[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 100878765
1-(furan-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-2-carboxamide
CID 87045075
(2R)-N-[(1-ethylcyclobutyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 97011673
1-(furan-2-carbonyl)-N-[4-(4-methylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 24658906
tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 81002523

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(furan-2-carbonyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(furan-2-carbonyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide (CID 32766924) is (2S)-1-(furan-2-carbonyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(furan-2-carbonyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(furan-2-carbonyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide is C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccco1)c1ccco1.
What is the InChIKey of (2S)-1-(furan-2-carbonyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is VBKBLTVROMZGAU-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-11(13-6-3-9-21-13)17-15(19)12-5-2-8-18(12)16(20)14-7-4-10-22-14/h3-4,6-7,9-12H,2,5,8H2,1H3,(H,17,19)/t11-,12-/m0/s1.
What are the key properties of (2S)-1-(furan-2-carbonyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide?
(2S)-1-(furan-2-carbonyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(furan-2-carbonyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 32766924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).