N-tert-butyl-2-[6-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide

C21H26N2O4 — CID 7541807

IUPACN-tert-butyl-2-[6-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide
SMILESC[C@H]1Cc2ccccc2N1Cc1cc(=O)c(OCC(=O)NC(C)(C)C)co1
InChIInChI=1S/C21H26N2O4/c1-14-9-15-7-5-6-8-17(15)23(14)11-16-10-18(24)19(12-26-16)27-13-20(25)22-21(2,3)4/h5-8,10,12,14H,9,11,13H2,1-4H3,(H,22,25)/t14-/m0/s1
InChIKeyJYHBFMZKUMDMAR-AWEZNQCLSA-N
MW370.45 g/mol
LogP2.88
Rot. Bonds5

About N-tert-butyl-2-[6-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide

N-tert-butyl-2-[6-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide (PubChem CID 7541807) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-tert-butyl-2-[6-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[6-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide
PubChem CID7541807
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-tert-butyl-2-[6-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide
SMILESC[C@H]1Cc2ccccc2N1Cc1cc(=O)c(OCC(=O)NC(C)(C)C)co1
InChIInChI=1S/C21H26N2O4/c1-14-9-15-7-5-6-8-17(15)23(14)11-16-10-18(24)19(12-26-16)27-13-20(25)22-21(2,3)4/h5-8,10,12,14H,9,11,13H2,1-4H3,(H,22,25)/t14-/m0/s1
InChIKeyJYHBFMZKUMDMAR-AWEZNQCLSA-N
XLogP2.88
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
CID 7178264
methyl 4-[[2-[6-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-4-oxopyran-3-yl]oxyacetyl]amino]benzoate
CID 41184704
2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one
CID 7541783
5-[(2,4-dichlorophenyl)methoxy]-2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]pyran-4-one
CID 7541857
N-tert-butyl-2-[6-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide
CID 7178562
N-tert-butyl-4-[[6-(1,3-dihydroisoindol-2-ylmethyl)-4-oxopyran-3-yl]oxymethyl]benzamide
CID 135151961
2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,3-dimethylphenyl)acetamide
CID 7178285
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethylphenyl)acetamide
CID 7178303
N-tert-butyl-2-[6-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide
CID 7293016
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethoxyphenyl)acetamide
CID 7178320
2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
CID 16802987
N-cyclopentyl-2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide
CID 18575688

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[6-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide?
The IUPAC name of N-tert-butyl-2-[6-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide (CID 7541807) is N-tert-butyl-2-[6-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide.
What is the SMILES notation for N-tert-butyl-2-[6-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide?
The canonical SMILES for N-tert-butyl-2-[6-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide is C[C@H]1Cc2ccccc2N1Cc1cc(=O)c(OCC(=O)NC(C)(C)C)co1.
What is the InChIKey of N-tert-butyl-2-[6-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide?
The InChIKey is JYHBFMZKUMDMAR-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14-9-15-7-5-6-8-17(15)23(14)11-16-10-18(24)19(12-26-16)27-13-20(25)22-21(2,3)4/h5-8,10,12,14H,9,11,13H2,1-4H3,(H,22,25)/t14-/m0/s1.
What are the key properties of N-tert-butyl-2-[6-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide?
N-tert-butyl-2-[6-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide has a molecular weight of 370.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[6-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide is sourced from PubChem (CID 7541807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).