[2-(4-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate

C19H18N2O3 — CID 4803741

IUPAC[2-(4-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCc1ccc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H18N2O3/c1-13-6-8-15(9-7-13)21-18(22)12-24-19(23)10-14-11-20-17-5-3-2-4-16(14)17/h2-9,11,20H,10,12H2,1H3,(H,21,22)
InChIKeyGYZLYGKIRSFYMV-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.20
Rot. Bonds5

About [2-(4-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate

[2-(4-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 4803741) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
PubChem CID4803741
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name[2-(4-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCc1ccc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H18N2O3/c1-13-6-8-15(9-7-13)21-18(22)12-24-19(23)10-14-11-20-17-5-3-2-4-16(14)17/h2-9,11,20H,10,12H2,1H3,(H,21,22)
InChIKeyGYZLYGKIRSFYMV-UHFFFAOYSA-N
XLogP3.20
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 802
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CID 801
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CID 135417159
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CID 132837
CID 132837
CID 77980
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CID 214011
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CID 96750
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CID 4255608
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CID 795532
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CID 2176047
CID 2176047

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate (CID 4803741) is [2-(4-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-(4-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate is Cc1ccc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of [2-(4-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is GYZLYGKIRSFYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13-6-8-15(9-7-13)21-18(22)12-24-19(23)10-14-11-20-17-5-3-2-4-16(14)17/h2-9,11,20H,10,12H2,1H3,(H,21,22).
What are the key properties of [2-(4-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
[2-(4-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 322.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 4803741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).