methyl 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]benzoate

C18H18N2O3 — CID 155924431

IUPACmethyl 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CC1CNc2ccccc21
InChIInChI=1S/C18H18N2O3/c1-23-18(22)14-7-3-5-9-16(14)20-17(21)10-12-11-19-15-8-4-2-6-13(12)15/h2-9,12,19H,10-11H2,1H3,(H,20,21)
InChIKeyPHJOHDRWJUPEDL-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.01
Rot. Bonds4

About methyl 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]benzoate

methyl 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]benzoate (PubChem CID 155924431) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]benzoate
PubChem CID155924431
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Namemethyl 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CC1CNc2ccccc21
InChIInChI=1S/C18H18N2O3/c1-23-18(22)14-7-3-5-9-16(14)20-17(21)10-12-11-19-15-8-4-2-6-13(12)15/h2-9,12,19H,10-11H2,1H3,(H,20,21)
InChIKeyPHJOHDRWJUPEDL-UHFFFAOYSA-N
XLogP3.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]benzoate
CID 86955196
2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
CID 83020755
2-(2,3-dihydro-1H-indol-3-yl)-N-pyridazin-3-ylacetamide
CID 116786750
methyl 2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate
CID 2242136
N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573936
3-(2-methoxyprop-2-enyl)-2,3-dihydro-1H-indole
CID 145312543
N-(3-bromo-5-methylphenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 107583431
methyl 2-[(2-morpholin-2-ylacetyl)amino]benzoate
CID 66433003
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid
CID 80573099
N-(1-cyclopropylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573060
2-(2,3-dihydro-1H-indol-3-yl)-N-pentylacetamide
CID 80573792
N-cyclohexyl-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573809

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]benzoate (CID 155924431) is methyl 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CC1CNc2ccccc21.
What is the InChIKey of methyl 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]benzoate?
The InChIKey is PHJOHDRWJUPEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-23-18(22)14-7-3-5-9-16(14)20-17(21)10-12-11-19-15-8-4-2-6-13(12)15/h2-9,12,19H,10-11H2,1H3,(H,20,21).
What are the key properties of methyl 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]benzoate?
methyl 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]benzoate has a molecular weight of 310.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 155924431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).