(2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide

C17H18N2O4 — CID 32581229

IUPAC(2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide
SMILESO=C(NOCc1ccccc1)[C@@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C17H18N2O4/c20-16(18-23-12-13-6-2-1-3-7-13)14-8-4-10-19(14)17(21)15-9-5-11-22-15/h1-3,5-7,9,11,14H,4,8,10,12H2,(H,18,20)/t14-/m0/s1
InChIKeyWMZZXKSMPOSSGM-AWEZNQCLSA-N
MW314.34 g/mol
LogP2.13
Rot. Bonds5

About (2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide

(2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide (PubChem CID 32581229) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide
PubChem CID32581229
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name(2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide
SMILESO=C(NOCc1ccccc1)[C@@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C17H18N2O4/c20-16(18-23-12-13-6-2-1-3-7-13)14-8-4-10-19(14)17(21)15-9-5-11-22-15/h1-3,5-7,9,11,14H,4,8,10,12H2,(H,18,20)/t14-/m0/s1
InChIKeyWMZZXKSMPOSSGM-AWEZNQCLSA-N
XLogP2.13
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate
CID 60552080
N'-benzoyl-1-(furan-2-carbonyl)pyrrolidine-2-carbohydrazide
CID 24658797
1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide
CID 47019403
(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 42879455
tert-butyl (2S)-2-(phenylmethoxycarbamoyl)pyrrolidine-1-carboxylate
CID 23258205
3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944214
(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
tert-butyl 2-(phenylmethoxycarbamoyl)piperidine-1-carboxylate
CID 60596105
N-[3-(benzenesulfonyl)propyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 166198860
(2S)-1-(furan-2-carbonyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 32766924
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide (CID 32581229) is (2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide is O=C(NOCc1ccccc1)[C@@H]1CCCN1C(=O)c1ccco1.
What is the InChIKey of (2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide?
The InChIKey is WMZZXKSMPOSSGM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-16(18-23-12-13-6-2-1-3-7-13)14-8-4-10-19(14)17(21)15-9-5-11-22-15/h1-3,5-7,9,11,14H,4,8,10,12H2,(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide?
(2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 2.13, 5 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-phenylmethoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 32581229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).