methyl 3-[4-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride

C19H29ClN2O4 — CID 71460804

IUPACmethyl 3-[4-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride
SMILESCCCCN(C)C(=O)Oc1cccc2c1C(CCC(=O)OC)CN2C.Cl
InChIInChI=1S/C19H28N2O4.ClH/c1-5-6-12-20(2)19(23)25-16-9-7-8-15-18(16)14(13-21(15)3)10-11-17(22)24-4;/h7-9,14H,5-6,10-13H2,1-4H3;1H
InChIKeySNYDVYXFPRYTCZ-UHFFFAOYSA-N
MW384.90 g/mol
LogP3.83
Rot. Bonds7

About methyl 3-[4-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride

methyl 3-[4-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride (PubChem CID 71460804) has the molecular formula C19H29ClN2O4 and a molecular weight of 384.90 g/mol. Its IUPAC name is methyl 3-[4-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[4-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride
PubChem CID71460804
Molecular FormulaC19H29ClN2O4
Molecular Weight384.90 g/mol
Exact Mass384.18
IUPAC Namemethyl 3-[4-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride
SMILESCCCCN(C)C(=O)Oc1cccc2c1C(CCC(=O)OC)CN2C.Cl
InChIInChI=1S/C19H28N2O4.ClH/c1-5-6-12-20(2)19(23)25-16-9-7-8-15-18(16)14(13-21(15)3)10-11-17(22)24-4;/h7-9,14H,5-6,10-13H2,1-4H3;1H
InChIKeySNYDVYXFPRYTCZ-UHFFFAOYSA-N
XLogP3.83
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.90
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride?
The IUPAC name of methyl 3-[4-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride (CID 71460804) is methyl 3-[4-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[4-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[4-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride is CCCCN(C)C(=O)Oc1cccc2c1C(CCC(=O)OC)CN2C.Cl.
What is the InChIKey of methyl 3-[4-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride?
The InChIKey is SNYDVYXFPRYTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4.ClH/c1-5-6-12-20(2)19(23)25-16-9-7-8-15-18(16)14(13-21(15)3)10-11-17(22)24-4;/h7-9,14H,5-6,10-13H2,1-4H3;1H.
What are the key properties of methyl 3-[4-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride?
methyl 3-[4-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride has a molecular weight of 384.90 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride is sourced from PubChem (CID 71460804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).