(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide

About (2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide

(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 6671540) has the molecular formula C27H40N2O7 and a molecular weight of 504.62 g/mol. Its IUPAC name is (2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name	(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID	6671540
Molecular Formula	C27H40N2O7
Molecular Weight	504.62 g/mol
Exact Mass	504.28
IUPAC Name	(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILES	CCO[C@H]1OC(C(=O)NCCCN2CCCC2=O)=C[C@@H](c2ccccc2)[C@@H]1CCOCCOCCO
InChI	InChI=1S/C27H40N2O7/c1-2-35-27-22(11-16-33-18-19-34-17-15-30)23(21-8-4-3-5-9-21)20-24(36-27)26(32)28-12-7-14-29-13-6-10-25(29)31/h3-5,8-9,20,22-23,27,30H,2,6-7,10-19H2,1H3,(H,28,32)/t22-,23-,27-/m0/s1
InChIKey	OWQAKVIBOHCGLV-WCYRKSIYSA-N
XLogP	2.21
TPSA	106.56 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	16
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.62
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?

The IUPAC name of (2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 6671540) is (2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.

What is the SMILES notation for (2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?

The canonical SMILES for (2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is CCO[C@H]1OC(C(=O)NCCCN2CCCC2=O)=C[C@@H](c2ccccc2)[C@@H]1CCOCCOCCO.

What is the InChIKey of (2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?

The InChIKey is OWQAKVIBOHCGLV-WCYRKSIYSA-N. The full InChI is InChI=1S/C27H40N2O7/c1-2-35-27-22(11-16-33-18-19-34-17-15-30)23(21-8-4-3-5-9-21)20-24(36-27)26(32)28-12-7-14-29-13-6-10-25(29)31/h3-5,8-9,20,22-23,27,30H,2,6-7,10-19H2,1H3,(H,28,32)/t22-,23-,27-/m0/s1.

What are the key properties of (2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?

(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 504.62 g/mol, XLogP of 2.21, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 6671540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).