(2-amino-2-oxoethyl) 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxylate

C17H18N2O4 — CID 56788723

IUPAC(2-amino-2-oxoethyl) 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxylate
SMILESCC1Cc2ccccc2N1Cc1occc1C(=O)OCC(N)=O
InChIInChI=1S/C17H18N2O4/c1-11-8-12-4-2-3-5-14(12)19(11)9-15-13(6-7-22-15)17(21)23-10-16(18)20/h2-7,11H,8-10H2,1H3,(H2,18,20)
InChIKeyPHHZMQWCECJDDO-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.87
Rot. Bonds5

About (2-amino-2-oxoethyl) 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxylate

(2-amino-2-oxoethyl) 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxylate (PubChem CID 56788723) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxylate
PubChem CID56788723
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name(2-amino-2-oxoethyl) 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxylate
SMILESCC1Cc2ccccc2N1Cc1occc1C(=O)OCC(N)=O
InChIInChI=1S/C17H18N2O4/c1-11-8-12-4-2-3-5-14(12)19(11)9-15-13(6-7-22-15)17(21)23-10-16(18)20/h2-7,11H,8-10H2,1H3,(H2,18,20)
InChIKeyPHHZMQWCECJDDO-UHFFFAOYSA-N
XLogP1.87
TPSA85.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]acetic acid
CID 119346292
N-(3-aminobutyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 119496457
[4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]-phenylmethanone
CID 56564571
methyl 3-[[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-3-carbonyl]amino]propanoate
CID 95274797
[(3R)-3-aminopyrrolidin-1-yl]-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]methanone
CID 119410657
3,4-dihydro-1H-isoquinolin-2-yl-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]methanone
CID 56559589
(2R)-2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]propanoic acid
CID 119369916
N-(4-methoxyphenyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 56559747
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-pentylfuran-3-carboxamide
CID 56562145
N-[2-(methylamino)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 120830812
N-[2-(methylamino)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide;dihydrochloride
CID 120830811
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-methylpentyl)furan-3-carboxamide
CID 56567369

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxylate?
The IUPAC name of (2-amino-2-oxoethyl) 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxylate (CID 56788723) is (2-amino-2-oxoethyl) 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxylate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxylate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxylate is CC1Cc2ccccc2N1Cc1occc1C(=O)OCC(N)=O.
What is the InChIKey of (2-amino-2-oxoethyl) 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxylate?
The InChIKey is PHHZMQWCECJDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-8-12-4-2-3-5-14(12)19(11)9-15-13(6-7-22-15)17(21)23-10-16(18)20/h2-7,11H,8-10H2,1H3,(H2,18,20).
What are the key properties of (2-amino-2-oxoethyl) 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxylate?
(2-amino-2-oxoethyl) 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxylate has a molecular weight of 314.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxylate is sourced from PubChem (CID 56788723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).