2-ethoxy-N-[(4-fluorophenyl)methyl]-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

C24H36FNO6 — CID 4233060

IUPAC2-ethoxy-N-[(4-fluorophenyl)methyl]-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCOC1OC(C(=O)NCc2ccc(F)cc2)=CC(C(C)C)C1CCOCCOCCO
InChIInChI=1S/C24H36FNO6/c1-4-31-24-20(9-11-29-13-14-30-12-10-27)21(17(2)3)15-22(32-24)23(28)26-16-18-5-7-19(25)8-6-18/h5-8,15,17,20-21,24,27H,4,9-14,16H2,1-3H3,(H,26,28)
InChIKeyMRAGBEUZXUKDIR-UHFFFAOYSA-N
MW453.55 g/mol
LogP3.02
Rot. Bonds14

About 2-ethoxy-N-[(4-fluorophenyl)methyl]-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

2-ethoxy-N-[(4-fluorophenyl)methyl]-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 4233060) has the molecular formula C24H36FNO6 and a molecular weight of 453.55 g/mol. Its IUPAC name is 2-ethoxy-N-[(4-fluorophenyl)methyl]-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[(4-fluorophenyl)methyl]-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID4233060
Molecular FormulaC24H36FNO6
Molecular Weight453.55 g/mol
Exact Mass453.25
IUPAC Name2-ethoxy-N-[(4-fluorophenyl)methyl]-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCOC1OC(C(=O)NCc2ccc(F)cc2)=CC(C(C)C)C1CCOCCOCCO
InChIInChI=1S/C24H36FNO6/c1-4-31-24-20(9-11-29-13-14-30-12-10-27)21(17(2)3)15-22(32-24)23(28)26-16-18-5-7-19(25)8-6-18/h5-8,15,17,20-21,24,27H,4,9-14,16H2,1-3H3,(H,26,28)
InChIKeyMRAGBEUZXUKDIR-UHFFFAOYSA-N
XLogP3.02
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 53.02
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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Related Compounds

methyl 4-[2-ethoxy-6-[(4-fluorophenyl)methylcarbamoyl]-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-4-yl]benzoate
CID 4048900
(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 6667269
(2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 6668265
(2S,3S,4R)-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxy-N-[(4-fluorophenyl)methyl]-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 6667246
(2R,3R,4S)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 6668619
(2S,3R,4R)-N-[(4-bromophenyl)methyl]-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 6672012
[(2R,3R,4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
CID 6671204
(2S,3R,4R)-2-ethoxy-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 6672003
(2S,3S,4R)-2-ethoxy-N-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 23760663
(2R,4S)-2-ethoxy-N-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 58817258
(2R,3S,4S)-N-benzyl-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 6668486
4-(1-acetylindol-3-yl)-N-benzyl-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 3363592

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(4-fluorophenyl)methyl]-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of 2-ethoxy-N-[(4-fluorophenyl)methyl]-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (CID 4233060) is 2-ethoxy-N-[(4-fluorophenyl)methyl]-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[(4-fluorophenyl)methyl]-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for 2-ethoxy-N-[(4-fluorophenyl)methyl]-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is CCOC1OC(C(=O)NCc2ccc(F)cc2)=CC(C(C)C)C1CCOCCOCCO.
What is the InChIKey of 2-ethoxy-N-[(4-fluorophenyl)methyl]-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is MRAGBEUZXUKDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36FNO6/c1-4-31-24-20(9-11-29-13-14-30-12-10-27)21(17(2)3)15-22(32-24)23(28)26-16-18-5-7-19(25)8-6-18/h5-8,15,17,20-21,24,27H,4,9-14,16H2,1-3H3,(H,26,28).
What are the key properties of 2-ethoxy-N-[(4-fluorophenyl)methyl]-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
2-ethoxy-N-[(4-fluorophenyl)methyl]-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 453.55 g/mol, XLogP of 3.02, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(4-fluorophenyl)methyl]-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 4233060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).