(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

C28H34N2O5 — CID 6671065

IUPAC(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
SMILESCCO[C@@H]1OC(C(=O)NCCc2c[nH]c3ccc(OC)cc23)=C[C@H](c2ccccc2)[C@H]1CCCO
InChIInChI=1S/C28H34N2O5/c1-3-34-28-22(10-7-15-31)23(19-8-5-4-6-9-19)17-26(35-28)27(32)29-14-13-20-18-30-25-12-11-21(33-2)16-24(20)25/h4-6,8-9,11-12,16-18,22-23,28,30-31H,3,7,10,13-15H2,1-2H3,(H,29,32)/t22-,23-,28-/m1/s1
InChIKeyHKNQJUNMHNZCPZ-MVOZIGHISA-N
MW478.59 g/mol
LogP4.28
Rot. Bonds11

About (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

(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 (PubChem CID 6671065) has the molecular formula C28H34N2O5 and a molecular weight of 478.59 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID6671065
Molecular FormulaC28H34N2O5
Molecular Weight478.59 g/mol
Exact Mass478.25
IUPAC Name(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
SMILESCCO[C@@H]1OC(C(=O)NCCc2c[nH]c3ccc(OC)cc23)=C[C@H](c2ccccc2)[C@H]1CCCO
InChIInChI=1S/C28H34N2O5/c1-3-34-28-22(10-7-15-31)23(19-8-5-4-6-9-19)17-26(35-28)27(32)29-14-13-20-18-30-25-12-11-21(33-2)16-24(20)25/h4-6,8-9,11-12,16-18,22-23,28,30-31H,3,7,10,13-15H2,1-2H3,(H,29,32)/t22-,23-,28-/m1/s1
InChIKeyHKNQJUNMHNZCPZ-MVOZIGHISA-N
XLogP4.28
TPSA92.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

(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
(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
methyl 4-[(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-6-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]-3,4-dihydro-2H-pyran-4-yl]benzoate
CID 6671577
(2R,3S,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 6671940
(2R,3S,4S)-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 6668848
(2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-(4-methoxyphenyl)-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23818569
(2S,3S,4R)-2-ethoxy-4-(4-ethynylphenyl)-3-(3-hydroxypropyl)-N-(2-phenylethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23760665
(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
(2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23930993
(2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-[(4-methylphenyl)methyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 58817252
(2R,3R,4S)-N-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23847036
(2S,3S,4R)-N-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-4-(1H-indol-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 16682616

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCO[C@@H]1OC(C(=O)NCCc2c[nH]c3ccc(OC)cc23)=C[C@H](c2ccccc2)[C@H]1CCCO.
What is the InChIKey of (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?
The InChIKey is HKNQJUNMHNZCPZ-MVOZIGHISA-N. The full InChI is InChI=1S/C28H34N2O5/c1-3-34-28-22(10-7-15-31)23(19-8-5-4-6-9-19)17-26(35-28)27(32)29-14-13-20-18-30-25-12-11-21(33-2)16-24(20)25/h4-6,8-9,11-12,16-18,22-23,28,30-31H,3,7,10,13-15H2,1-2H3,(H,29,32)/t22-,23-,28-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 478.59 g/mol, XLogP of 4.28, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 6671065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).