N-[(2R,3S,4S,5S)-2-methoxy-4-(1-methylindol-3-yl)-5-(phenylmethoxymethyl)oxolan-3-yl]acetamide

C24H28N2O4 — CID 10319283

IUPACN-[(2R,3S,4S,5S)-2-methoxy-4-(1-methylindol-3-yl)-5-(phenylmethoxymethyl)oxolan-3-yl]acetamide
SMILESCO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](c2cn(C)c3ccccc23)[C@@H]1NC(C)=O
InChIInChI=1S/C24H28N2O4/c1-16(27)25-23-22(19-13-26(2)20-12-8-7-11-18(19)20)21(30-24(23)28-3)15-29-14-17-9-5-4-6-10-17/h4-13,21-24H,14-15H2,1-3H3,(H,25,27)/t21-,22-,23+,24-/m1/s1
InChIKeyQXGFSEVVJXVEDY-JLLPCOHGSA-N
MW408.50 g/mol
LogP3.35
Rot. Bonds7

About N-[(2R,3S,4S,5S)-2-methoxy-4-(1-methylindol-3-yl)-5-(phenylmethoxymethyl)oxolan-3-yl]acetamide

N-[(2R,3S,4S,5S)-2-methoxy-4-(1-methylindol-3-yl)-5-(phenylmethoxymethyl)oxolan-3-yl]acetamide (PubChem CID 10319283) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[(2R,3S,4S,5S)-2-methoxy-4-(1-methylindol-3-yl)-5-(phenylmethoxymethyl)oxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3S,4S,5S)-2-methoxy-4-(1-methylindol-3-yl)-5-(phenylmethoxymethyl)oxolan-3-yl]acetamide
PubChem CID10319283
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC NameN-[(2R,3S,4S,5S)-2-methoxy-4-(1-methylindol-3-yl)-5-(phenylmethoxymethyl)oxolan-3-yl]acetamide
SMILESCO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](c2cn(C)c3ccccc23)[C@@H]1NC(C)=O
InChIInChI=1S/C24H28N2O4/c1-16(27)25-23-22(19-13-26(2)20-12-8-7-11-18(19)20)21(30-24(23)28-3)15-29-14-17-9-5-4-6-10-17/h4-13,21-24H,14-15H2,1-3H3,(H,25,27)/t21-,22-,23+,24-/m1/s1
InChIKeyQXGFSEVVJXVEDY-JLLPCOHGSA-N
XLogP3.35
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4S,5S)-2-methoxy-4-(1-methylindol-3-yl)-5-(phenylmethoxymethyl)oxolan-3-yl]acetamide?
The IUPAC name of N-[(2R,3S,4S,5S)-2-methoxy-4-(1-methylindol-3-yl)-5-(phenylmethoxymethyl)oxolan-3-yl]acetamide (CID 10319283) is N-[(2R,3S,4S,5S)-2-methoxy-4-(1-methylindol-3-yl)-5-(phenylmethoxymethyl)oxolan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3S,4S,5S)-2-methoxy-4-(1-methylindol-3-yl)-5-(phenylmethoxymethyl)oxolan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3S,4S,5S)-2-methoxy-4-(1-methylindol-3-yl)-5-(phenylmethoxymethyl)oxolan-3-yl]acetamide is CO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](c2cn(C)c3ccccc23)[C@@H]1NC(C)=O.
What is the InChIKey of N-[(2R,3S,4S,5S)-2-methoxy-4-(1-methylindol-3-yl)-5-(phenylmethoxymethyl)oxolan-3-yl]acetamide?
The InChIKey is QXGFSEVVJXVEDY-JLLPCOHGSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-16(27)25-23-22(19-13-26(2)20-12-8-7-11-18(19)20)21(30-24(23)28-3)15-29-14-17-9-5-4-6-10-17/h4-13,21-24H,14-15H2,1-3H3,(H,25,27)/t21-,22-,23+,24-/m1/s1.
What are the key properties of N-[(2R,3S,4S,5S)-2-methoxy-4-(1-methylindol-3-yl)-5-(phenylmethoxymethyl)oxolan-3-yl]acetamide?
N-[(2R,3S,4S,5S)-2-methoxy-4-(1-methylindol-3-yl)-5-(phenylmethoxymethyl)oxolan-3-yl]acetamide has a molecular weight of 408.50 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4S,5S)-2-methoxy-4-(1-methylindol-3-yl)-5-(phenylmethoxymethyl)oxolan-3-yl]acetamide is sourced from PubChem (CID 10319283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).