(2R)-3-(1H-indol-3-yl)-2-[[2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetyl]amino]-N-methylpropanamide

C30H27N3O6 — CID 155486693

IUPAC(2R)-3-(1H-indol-3-yl)-2-[[2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1c(-c2ccc(OC)cc2)oc2cc3c(cc12)OCO3
InChIInChI=1S/C30H27N3O6/c1-31-30(35)24(11-18-15-32-23-6-4-3-5-20(18)23)33-28(34)13-22-21-12-26-27(38-16-37-26)14-25(21)39-29(22)17-7-9-19(36-2)10-8-17/h3-10,12,14-15,24,32H,11,13,16H2,1-2H3,(H,31,35)(H,33,34)/t24-/m1/s1
InChIKeyLACDAYPRGKSVDV-XMMPIXPASA-N
MW525.56 g/mol
LogP4.33
Rot. Bonds8

About (2R)-3-(1H-indol-3-yl)-2-[[2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetyl]amino]-N-methylpropanamide

(2R)-3-(1H-indol-3-yl)-2-[[2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetyl]amino]-N-methylpropanamide (PubChem CID 155486693) has the molecular formula C30H27N3O6 and a molecular weight of 525.56 g/mol. Its IUPAC name is (2R)-3-(1H-indol-3-yl)-2-[[2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-3-(1H-indol-3-yl)-2-[[2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetyl]amino]-N-methylpropanamide
PubChem CID155486693
Molecular FormulaC30H27N3O6
Molecular Weight525.56 g/mol
Exact Mass525.19
IUPAC Name(2R)-3-(1H-indol-3-yl)-2-[[2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1c(-c2ccc(OC)cc2)oc2cc3c(cc12)OCO3
InChIInChI=1S/C30H27N3O6/c1-31-30(35)24(11-18-15-32-23-6-4-3-5-20(18)23)33-28(34)13-22-21-12-26-27(38-16-37-26)14-25(21)39-29(22)17-7-9-19(36-2)10-8-17/h3-10,12,14-15,24,32H,11,13,16H2,1-2H3,(H,31,35)(H,33,34)/t24-/m1/s1
InChIKeyLACDAYPRGKSVDV-XMMPIXPASA-N
XLogP4.33
TPSA114.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.56
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-3-(1H-indol-3-yl)-2-[[2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetyl]amino]-N-methylpropanamide with MolForge

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Related Compounds

(2R)-3-(1H-indol-3-yl)-2-[[2-[2-(4-methoxyphenyl)furo[3,2-h]quinolin-3-yl]acetyl]amino]-N-methylpropanamide
CID 163355804
N-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetamide
CID 155486684
(2S)-3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate
CID 6963896
N-[(2S)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methoxybenzamide
CID 7596511
ethane;3-(1H-indol-3-yl)-N-methyl-2-(methylamino)propanamide
CID 144733138
(2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 990959
tert-butyl N-[(2S)-3-(1H-indol-3-yl)-1-(4-methoxyanilino)-1-oxopropan-2-yl]carbamate
CID 7437847
[2-(4-methoxyanilino)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate
CID 55325855
(2R)-3-(1H-indol-3-yl)-2-[[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]propanoic acid
CID 51519783
2-acetamido-3-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 4919452
(2S)-2-[[2-[(E)-[(5S)-2,3-dihydroxy-5-methoxy-6-methylheptan-4-ylidene]amino]oxyacetyl]amino]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 146550830
methyl (2S)-2-[(2-dibenzofuran-2-yloxyacetyl)amino]-3-(1H-indol-3-yl)propanoate
CID 51660269

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1H-indol-3-yl)-2-[[2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetyl]amino]-N-methylpropanamide?
The IUPAC name of (2R)-3-(1H-indol-3-yl)-2-[[2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetyl]amino]-N-methylpropanamide (CID 155486693) is (2R)-3-(1H-indol-3-yl)-2-[[2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetyl]amino]-N-methylpropanamide.
What is the SMILES notation for (2R)-3-(1H-indol-3-yl)-2-[[2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetyl]amino]-N-methylpropanamide?
The canonical SMILES for (2R)-3-(1H-indol-3-yl)-2-[[2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetyl]amino]-N-methylpropanamide is CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1c(-c2ccc(OC)cc2)oc2cc3c(cc12)OCO3.
What is the InChIKey of (2R)-3-(1H-indol-3-yl)-2-[[2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetyl]amino]-N-methylpropanamide?
The InChIKey is LACDAYPRGKSVDV-XMMPIXPASA-N. The full InChI is InChI=1S/C30H27N3O6/c1-31-30(35)24(11-18-15-32-23-6-4-3-5-20(18)23)33-28(34)13-22-21-12-26-27(38-16-37-26)14-25(21)39-29(22)17-7-9-19(36-2)10-8-17/h3-10,12,14-15,24,32H,11,13,16H2,1-2H3,(H,31,35)(H,33,34)/t24-/m1/s1.
What are the key properties of (2R)-3-(1H-indol-3-yl)-2-[[2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetyl]amino]-N-methylpropanamide?
(2R)-3-(1H-indol-3-yl)-2-[[2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetyl]amino]-N-methylpropanamide has a molecular weight of 525.56 g/mol, XLogP of 4.33, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1H-indol-3-yl)-2-[[2-[6-(4-methoxyphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]acetyl]amino]-N-methylpropanamide is sourced from PubChem (CID 155486693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).