ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate

C16H22N2O3 — CID 76894068

IUPACethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(=O)C1Cc2ccccc2N1)C(C)C
InChIInChI=1S/C16H22N2O3/c1-4-21-15(19)10-18(11(2)3)16(20)14-9-12-7-5-6-8-13(12)17-14/h5-8,11,14,17H,4,9-10H2,1-3H3
InChIKeyQPAMNYHLFPFBCI-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.82
Rot. Bonds5

About ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate

ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate (PubChem CID 76894068) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate
PubChem CID76894068
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(=O)C1Cc2ccccc2N1)C(C)C
InChIInChI=1S/C16H22N2O3/c1-4-21-15(19)10-18(11(2)3)16(20)14-9-12-7-5-6-8-13(12)17-14/h5-8,11,14,17H,4,9-10H2,1-3H3
InChIKeyQPAMNYHLFPFBCI-UHFFFAOYSA-N
XLogP1.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-Benzyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 562745
2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]azaniumyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate
CID 40466887
(2S)-3-cyclohexyl-N-[(2S)-1-(5-fluoro-2,3-dihydro-1H-indol-1-yl)propan-2-yl]-2-(morpholin-4-ylcarbonylamino)propanamide
CID 23648409
(2S)-3-cyclohexyl-N-[(2S)-1-(5-fluoro-2,2-dimethyl-2,3-dihydro-1H-indol-1-yl)propan-2-yl]-2-(morpholin-4-ylcarbonylamino)propanamide
CID 23648410
example 8 [WO1999033801A1]
CID 57180216
N-(1-butyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 2954226
N-(2-oxo-1-propyl-2,3-dihydro-1H-indol-3-yl)acetamide
CID 4236752
Butabindide
CID 9817923
(2R)-2-(cyclohexylmethyl)-N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 11259697
N-[(2S)-3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 11270795
(2S)-aminobutyryl-(2S)-indoline carboxylic acid ethylamide
CID 11572637
(2S)-aminobutyryl-(2S)-indoline carboxylic acid propylamide
CID 11580133

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate (CID 76894068) is ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate is CCOC(=O)CN(C(=O)C1Cc2ccccc2N1)C(C)C.
What is the InChIKey of ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate?
The InChIKey is QPAMNYHLFPFBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-21-15(19)10-18(11(2)3)16(20)14-9-12-7-5-6-8-13(12)17-14/h5-8,11,14,17H,4,9-10H2,1-3H3.
What are the key properties of ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate?
ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate has a molecular weight of 290.36 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 76894068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).