methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate

C16H22N2O4 — CID 71459015

IUPACmethyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate
SMILESCCN(C)C(=O)Oc1cccc2c1NCC2CCC(=O)OC
InChIInChI=1S/C16H22N2O4/c1-4-18(2)16(20)22-13-7-5-6-12-11(10-17-15(12)13)8-9-14(19)21-3/h5-7,11,17H,4,8-10H2,1-3H3
InChIKeyUXKSWSRHKZPWJX-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.60
Rot. Bonds5

About methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate

methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate (PubChem CID 71459015) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate
PubChem CID71459015
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namemethyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate
SMILESCCN(C)C(=O)Oc1cccc2c1NCC2CCC(=O)OC
InChIInChI=1S/C16H22N2O4/c1-4-18(2)16(20)22-13-7-5-6-12-11(10-17-15(12)13)8-9-14(19)21-3/h5-7,11,17H,4,8-10H2,1-3H3
InChIKeyUXKSWSRHKZPWJX-UHFFFAOYSA-N
XLogP2.60
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate?
The IUPAC name of methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate (CID 71459015) is methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate.
What is the SMILES notation for methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate?
The canonical SMILES for methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate is CCN(C)C(=O)Oc1cccc2c1NCC2CCC(=O)OC.
What is the InChIKey of methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate?
The InChIKey is UXKSWSRHKZPWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-4-18(2)16(20)22-13-7-5-6-12-11(10-17-15(12)13)8-9-14(19)21-3/h5-7,11,17H,4,8-10H2,1-3H3.
What are the key properties of methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate?
methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate has a molecular weight of 306.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate is sourced from PubChem (CID 71459015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).