methyl 2-[1-[3-(dimethylamino)benzoyl]-2,3-dihydroindol-3-yl]acetate

C20H22N2O3 — CID 110672601

IUPACmethyl 2-[1-[3-(dimethylamino)benzoyl]-2,3-dihydroindol-3-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2cccc(N(C)C)c2)c2ccccc21
InChIInChI=1S/C20H22N2O3/c1-21(2)16-8-6-7-14(11-16)20(24)22-13-15(12-19(23)25-3)17-9-4-5-10-18(17)22/h4-11,15H,12-13H2,1-3H3
InChIKeyCTSVOGLHZKYMJR-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.06
Rot. Bonds4

About methyl 2-[1-[3-(dimethylamino)benzoyl]-2,3-dihydroindol-3-yl]acetate

methyl 2-[1-[3-(dimethylamino)benzoyl]-2,3-dihydroindol-3-yl]acetate (PubChem CID 110672601) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is methyl 2-[1-[3-(dimethylamino)benzoyl]-2,3-dihydroindol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[3-(dimethylamino)benzoyl]-2,3-dihydroindol-3-yl]acetate
PubChem CID110672601
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namemethyl 2-[1-[3-(dimethylamino)benzoyl]-2,3-dihydroindol-3-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2cccc(N(C)C)c2)c2ccccc21
InChIInChI=1S/C20H22N2O3/c1-21(2)16-8-6-7-14(11-16)20(24)22-13-15(12-19(23)25-3)17-9-4-5-10-18(17)22/h4-11,15H,12-13H2,1-3H3
InChIKeyCTSVOGLHZKYMJR-UHFFFAOYSA-N
XLogP3.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[3-(dimethylamino)benzoyl]-2,3-dihydroindol-3-yl]acetate?
The IUPAC name of methyl 2-[1-[3-(dimethylamino)benzoyl]-2,3-dihydroindol-3-yl]acetate (CID 110672601) is methyl 2-[1-[3-(dimethylamino)benzoyl]-2,3-dihydroindol-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-[3-(dimethylamino)benzoyl]-2,3-dihydroindol-3-yl]acetate?
The canonical SMILES for methyl 2-[1-[3-(dimethylamino)benzoyl]-2,3-dihydroindol-3-yl]acetate is COC(=O)CC1CN(C(=O)c2cccc(N(C)C)c2)c2ccccc21.
What is the InChIKey of methyl 2-[1-[3-(dimethylamino)benzoyl]-2,3-dihydroindol-3-yl]acetate?
The InChIKey is CTSVOGLHZKYMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-21(2)16-8-6-7-14(11-16)20(24)22-13-15(12-19(23)25-3)17-9-4-5-10-18(17)22/h4-11,15H,12-13H2,1-3H3.
What are the key properties of methyl 2-[1-[3-(dimethylamino)benzoyl]-2,3-dihydroindol-3-yl]acetate?
methyl 2-[1-[3-(dimethylamino)benzoyl]-2,3-dihydroindol-3-yl]acetate has a molecular weight of 338.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[3-(dimethylamino)benzoyl]-2,3-dihydroindol-3-yl]acetate is sourced from PubChem (CID 110672601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).