(2S,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

C28H34N2O5 — CID 6669049

IUPAC(2S,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)C3=C[C@@H](C(C)C)C[C@@H](OCc4ccc(CO)cc4)O3)c2c1
InChIInChI=1S/C28H34N2O5/c1-18(2)22-12-26(35-27(13-22)34-17-20-6-4-19(16-31)5-7-20)28(32)29-11-10-21-15-30-25-9-8-23(33-3)14-24(21)25/h4-9,12,14-15,18,22,27,30-31H,10-11,13,16-17H2,1-3H3,(H,29,32)/t22-,27+/m1/s1
InChIKeyQQNQYZIFEUVQAY-AMGIVPHBSA-N
MW478.59 g/mol
LogP4.45
Rot. Bonds10

About (2S,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

(2S,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 6669049) has the molecular formula C28H34N2O5 and a molecular weight of 478.59 g/mol. Its IUPAC name is (2S,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2S,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID6669049
Molecular FormulaC28H34N2O5
Molecular Weight478.59 g/mol
Exact Mass478.25
IUPAC Name(2S,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)C3=C[C@@H](C(C)C)C[C@@H](OCc4ccc(CO)cc4)O3)c2c1
InChIInChI=1S/C28H34N2O5/c1-18(2)22-12-26(35-27(13-22)34-17-20-6-4-19(16-31)5-7-20)28(32)29-11-10-21-15-30-25-9-8-23(33-3)14-24(21)25/h4-9,12,14-15,18,22,27,30-31H,10-11,13,16-17H2,1-3H3,(H,29,32)/t22-,27+/m1/s1
InChIKeyQQNQYZIFEUVQAY-AMGIVPHBSA-N
XLogP4.45
TPSA92.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide with MolForge

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Related Compounds

(2S,4S)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 6667123
methyl 4-[(2R,4R)-2-(4-hydroxybutoxy)-6-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]-3,4-dihydro-2H-pyran-4-yl]benzoate
CID 6669571
2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 5100930
(2S,4S)-4-(1,3-benzodioxol-5-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 6669160
2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 18794242
(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 6671371
(2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 6671065
N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 71926324
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate
CID 51852107
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
(2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-2-ethoxy-3-(3-hydroxypropyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 6671422

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2S,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (CID 6669049) is (2S,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2S,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2S,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is COc1ccc2[nH]cc(CCNC(=O)C3=C[C@@H](C(C)C)C[C@@H](OCc4ccc(CO)cc4)O3)c2c1.
What is the InChIKey of (2S,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is QQNQYZIFEUVQAY-AMGIVPHBSA-N. The full InChI is InChI=1S/C28H34N2O5/c1-18(2)22-12-26(35-27(13-22)34-17-20-6-4-19(16-31)5-7-20)28(32)29-11-10-21-15-30-25-9-8-23(33-3)14-24(21)25/h4-9,12,14-15,18,22,27,30-31H,10-11,13,16-17H2,1-3H3,(H,29,32)/t22-,27+/m1/s1.
What are the key properties of (2S,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
(2S,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 478.59 g/mol, XLogP of 4.45, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 6669049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).