N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide

C20H24N2O6 — CID 56774918

IUPACN-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide
SMILESCCOCCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H24N2O6/c1-2-26-11-9-22-16(12-27-13-18(22)23)19(24)14-5-7-15(8-6-14)21-20(25)17-4-3-10-28-17/h3-8,10,16,19,24H,2,9,11-13H2,1H3,(H,21,25)/t16-,19-/m1/s1
InChIKeyLPPDQBDKKBJUDX-VQIMIIECSA-N
MW388.42 g/mol
LogP1.83
Rot. Bonds8

About N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide

N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide (PubChem CID 56774918) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide
PubChem CID56774918
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC NameN-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide
SMILESCCOCCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H24N2O6/c1-2-26-11-9-22-16(12-27-13-18(22)23)19(24)14-5-7-15(8-6-14)21-20(25)17-4-3-10-28-17/h3-8,10,16,19,24H,2,9,11-13H2,1H3,(H,21,25)/t16-,19-/m1/s1
InChIKeyLPPDQBDKKBJUDX-VQIMIIECSA-N
XLogP1.83
TPSA101.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide (CID 56774918) is N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide is CCOCCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide?
The InChIKey is LPPDQBDKKBJUDX-VQIMIIECSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-2-26-11-9-22-16(12-27-13-18(22)23)19(24)14-5-7-15(8-6-14)21-20(25)17-4-3-10-28-17/h3-8,10,16,19,24H,2,9,11-13H2,1H3,(H,21,25)/t16-,19-/m1/s1.
What are the key properties of N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide?
N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 56774918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).