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

C27H34N2O7 — CID 6671828

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

(2R,3S,4S)-2-ethoxy-3-(3-hydroxypropyl)-4-(4-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 6671828) has the molecular formula C27H34N2O7 and a molecular weight of 498.58 g/mol. Its IUPAC name is (2R,3S,4S)-2-ethoxy-3-(3-hydroxypropyl)-4-(4-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

• Compound Name: (2R,3S,4S)-2-ethoxy-3-(3-hydroxypropyl)-4-(4-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide
• PubChem CID: 6671828
• Molecular Formula: C27H34N2O7
• Molecular Weight: 498.58 g/mol
• Exact Mass: 498.24
• IUPAC Name: (2R,3S,4S)-2-ethoxy-3-(3-hydroxypropyl)-4-(4-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide
• SMILES: CCO[C@@H]1OC(C(=O)NCCCN2CCCC2=O)=C[C@H](c2coc3ccccc3c2=O)[C@@H]1CCCO
• InChI: InChI=1S/C27H34N2O7/c1-2-34-27-18(9-6-15-30)20(21-17-35-22-10-4-3-8-19(22)25(21)32)16-23(36-27)26(33)28-12-7-14-29-13-5-11-24(29)31/h3-4,8,10,16-18,20,27,30H,2,5-7,9,11-15H2,1H3,(H,28,33)/t18-,20-,27+/m0/s1
• InChIKey: WOGUMLSLBRLCDG-GGZJYHEGSA-N
• XLogP: 2.67
• TPSA: 118.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.58
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2R,3S,4S)-2-ethoxy-3-(3-hydroxypropyl)-4-(4-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 6671828) is (2R,3S,4S)-2-ethoxy-3-(3-hydroxypropyl)-4-(4-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide.

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

The canonical SMILES for (2R,3S,4S)-2-ethoxy-3-(3-hydroxypropyl)-4-(4-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide is CCO[C@@H]1OC(C(=O)NCCCN2CCCC2=O)=C[C@H](c2coc3ccccc3c2=O)[C@@H]1CCCO.

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

The InChIKey is WOGUMLSLBRLCDG-GGZJYHEGSA-N. The full InChI is InChI=1S/C27H34N2O7/c1-2-34-27-18(9-6-15-30)20(21-17-35-22-10-4-3-8-19(22)25(21)32)16-23(36-27)26(33)28-12-7-14-29-13-5-11-24(29)31/h3-4,8,10,16-18,20,27,30H,2,5-7,9,11-15H2,1H3,(H,28,33)/t18-,20-,27+/m0/s1.

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

(2R,3S,4S)-2-ethoxy-3-(3-hydroxypropyl)-4-(4-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 498.58 g/mol, XLogP of 2.67, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S)-2-ethoxy-3-(3-hydroxypropyl)-4-(4-oxochromen-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 6671828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).