2-ethoxy-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

C20H29NO5 — CID 3344736

IUPAC2-ethoxy-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCOC1OC(C(=O)Nc2ccccc2O)=CC(C(C)C)C1CCCO
InChIInChI=1S/C20H29NO5/c1-4-25-20-14(8-7-11-22)15(13(2)3)12-18(26-20)19(24)21-16-9-5-6-10-17(16)23/h5-6,9-10,12-15,20,22-23H,4,7-8,11H2,1-3H3,(H,21,24)
InChIKeyHAFLMZZAEKFWIA-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.27
Rot. Bonds8

About 2-ethoxy-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

2-ethoxy-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 3344736) has the molecular formula C20H29NO5 and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-ethoxy-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID3344736
Molecular FormulaC20H29NO5
Molecular Weight363.45 g/mol
Exact Mass363.20
IUPAC Name2-ethoxy-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCOC1OC(C(=O)Nc2ccccc2O)=CC(C(C)C)C1CCCO
InChIInChI=1S/C20H29NO5/c1-4-25-20-14(8-7-11-22)15(13(2)3)12-18(26-20)19(24)21-16-9-5-6-10-17(16)23/h5-6,9-10,12-15,20,22-23H,4,7-8,11H2,1-3H3,(H,21,24)
InChIKeyHAFLMZZAEKFWIA-UHFFFAOYSA-N
XLogP3.27
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of 2-ethoxy-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (CID 3344736) is 2-ethoxy-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for 2-ethoxy-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is CCOC1OC(C(=O)Nc2ccccc2O)=CC(C(C)C)C1CCCO.
What is the InChIKey of 2-ethoxy-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is HAFLMZZAEKFWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO5/c1-4-25-20-14(8-7-11-22)15(13(2)3)12-18(26-20)19(24)21-16-9-5-6-10-17(16)23/h5-6,9-10,12-15,20,22-23H,4,7-8,11H2,1-3H3,(H,21,24).
What are the key properties of 2-ethoxy-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
2-ethoxy-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 363.45 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 3344736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).