(2R,4R)-4-(1-benzofuran-3-yl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide

C26H27NO5 — CID 6669940

IUPAC(2R,4R)-4-(1-benzofuran-3-yl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCC1CC1)C1=C[C@H](c2coc3ccccc23)C[C@H](OCc2ccc(CO)cc2)O1
InChIInChI=1S/C26H27NO5/c28-14-18-7-9-19(10-8-18)15-31-25-12-20(22-16-30-23-4-2-1-3-21(22)23)11-24(32-25)26(29)27-13-17-5-6-17/h1-4,7-11,16-17,20,25,28H,5-6,12-15H2,(H,27,29)/t20-,25+/m0/s1
InChIKeyHYFCJTDNLMHATC-NBGIEHNGSA-N
MW433.50 g/mol
LogP4.38
Rot. Bonds8

About (2R,4R)-4-(1-benzofuran-3-yl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide

(2R,4R)-4-(1-benzofuran-3-yl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 6669940) has the molecular formula C26H27NO5 and a molecular weight of 433.50 g/mol. Its IUPAC name is (2R,4R)-4-(1-benzofuran-3-yl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,4R)-4-(1-benzofuran-3-yl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID6669940
Molecular FormulaC26H27NO5
Molecular Weight433.50 g/mol
Exact Mass433.19
IUPAC Name(2R,4R)-4-(1-benzofuran-3-yl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCC1CC1)C1=C[C@H](c2coc3ccccc23)C[C@H](OCc2ccc(CO)cc2)O1
InChIInChI=1S/C26H27NO5/c28-14-18-7-9-19(10-8-18)15-31-25-12-20(22-16-30-23-4-2-1-3-21(22)23)11-24(32-25)26(29)27-13-17-5-6-17/h1-4,7-11,16-17,20,25,28H,5-6,12-15H2,(H,27,29)/t20-,25+/m0/s1
InChIKeyHYFCJTDNLMHATC-NBGIEHNGSA-N
XLogP4.38
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-(1-benzofuran-3-yl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,4R)-4-(1-benzofuran-3-yl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide (CID 6669940) is (2R,4R)-4-(1-benzofuran-3-yl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2R,4R)-4-(1-benzofuran-3-yl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,4R)-4-(1-benzofuran-3-yl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide is O=C(NCC1CC1)C1=C[C@H](c2coc3ccccc23)C[C@H](OCc2ccc(CO)cc2)O1.
What is the InChIKey of (2R,4R)-4-(1-benzofuran-3-yl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is HYFCJTDNLMHATC-NBGIEHNGSA-N. The full InChI is InChI=1S/C26H27NO5/c28-14-18-7-9-19(10-8-18)15-31-25-12-20(22-16-30-23-4-2-1-3-21(22)23)11-24(32-25)26(29)27-13-17-5-6-17/h1-4,7-11,16-17,20,25,28H,5-6,12-15H2,(H,27,29)/t20-,25+/m0/s1.
What are the key properties of (2R,4R)-4-(1-benzofuran-3-yl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,4R)-4-(1-benzofuran-3-yl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 433.50 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-(1-benzofuran-3-yl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 6669940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).