ethyl 5-[[(2R)-2-(5-methylfuran-2-yl)propanoyl]amino]-2,3-dihydroindole-1-carboxylate

C19H22N2O4 — CID 97218193

IUPACethyl 5-[[(2R)-2-(5-methylfuran-2-yl)propanoyl]amino]-2,3-dihydroindole-1-carboxylate
SMILESCCOC(=O)N1CCc2cc(NC(=O)[C@H](C)c3ccc(C)o3)ccc21
InChIInChI=1S/C19H22N2O4/c1-4-24-19(23)21-10-9-14-11-15(6-7-16(14)21)20-18(22)13(3)17-8-5-12(2)25-17/h5-8,11,13H,4,9-10H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyLBEKTJCARDZXLX-CYBMUJFWSA-N
MW342.40 g/mol
LogP3.85
Rot. Bonds4

About ethyl 5-[[(2R)-2-(5-methylfuran-2-yl)propanoyl]amino]-2,3-dihydroindole-1-carboxylate

ethyl 5-[[(2R)-2-(5-methylfuran-2-yl)propanoyl]amino]-2,3-dihydroindole-1-carboxylate (PubChem CID 97218193) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl 5-[[(2R)-2-(5-methylfuran-2-yl)propanoyl]amino]-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(2R)-2-(5-methylfuran-2-yl)propanoyl]amino]-2,3-dihydroindole-1-carboxylate
PubChem CID97218193
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Nameethyl 5-[[(2R)-2-(5-methylfuran-2-yl)propanoyl]amino]-2,3-dihydroindole-1-carboxylate
SMILESCCOC(=O)N1CCc2cc(NC(=O)[C@H](C)c3ccc(C)o3)ccc21
InChIInChI=1S/C19H22N2O4/c1-4-24-19(23)21-10-9-14-11-15(6-7-16(14)21)20-18(22)13(3)17-8-5-12(2)25-17/h5-8,11,13H,4,9-10H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyLBEKTJCARDZXLX-CYBMUJFWSA-N
XLogP3.85
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride
CID 119690438
ethyl 5-[[2-(4-bromo-2-hydroxyphenyl)acetyl]amino]-2,3-dihydroindole-1-carboxylate
CID 166229057
(2R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopropanamide;hydrochloride
CID 119271750
(2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopentanamide
CID 107568450
2-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]acetamide
CID 110609553
ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate
CID 110316008
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide
CID 43346617
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119690426
ethyl 2-[(1-benzoyl-2,3-dihydroindol-5-yl)amino]-2-oxoacetate
CID 112506147
5-[[(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-2,3-dihydroindole-1-carboxamide
CID 98852712
2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide
CID 110729318

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(2R)-2-(5-methylfuran-2-yl)propanoyl]amino]-2,3-dihydroindole-1-carboxylate?
The IUPAC name of ethyl 5-[[(2R)-2-(5-methylfuran-2-yl)propanoyl]amino]-2,3-dihydroindole-1-carboxylate (CID 97218193) is ethyl 5-[[(2R)-2-(5-methylfuran-2-yl)propanoyl]amino]-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for ethyl 5-[[(2R)-2-(5-methylfuran-2-yl)propanoyl]amino]-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for ethyl 5-[[(2R)-2-(5-methylfuran-2-yl)propanoyl]amino]-2,3-dihydroindole-1-carboxylate is CCOC(=O)N1CCc2cc(NC(=O)[C@H](C)c3ccc(C)o3)ccc21.
What is the InChIKey of ethyl 5-[[(2R)-2-(5-methylfuran-2-yl)propanoyl]amino]-2,3-dihydroindole-1-carboxylate?
The InChIKey is LBEKTJCARDZXLX-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-4-24-19(23)21-10-9-14-11-15(6-7-16(14)21)20-18(22)13(3)17-8-5-12(2)25-17/h5-8,11,13H,4,9-10H2,1-3H3,(H,20,22)/t13-/m1/s1.
What are the key properties of ethyl 5-[[(2R)-2-(5-methylfuran-2-yl)propanoyl]amino]-2,3-dihydroindole-1-carboxylate?
ethyl 5-[[(2R)-2-(5-methylfuran-2-yl)propanoyl]amino]-2,3-dihydroindole-1-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(2R)-2-(5-methylfuran-2-yl)propanoyl]amino]-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 97218193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).