methyl 3-[6-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride

C19H29ClN2O4 — CID 71453641

IUPACmethyl 3-[6-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride
SMILESCCCCN(C)C(=O)Oc1ccc2c(c1)N(C)CC2CCC(=O)OC.Cl
InChIInChI=1S/C19H28N2O4.ClH/c1-5-6-11-20(2)19(23)25-15-8-9-16-14(7-10-18(22)24-4)13-21(3)17(16)12-15;/h8-9,12,14H,5-7,10-11,13H2,1-4H3;1H
InChIKeyNBJWXULPDMULSY-UHFFFAOYSA-N
MW384.90 g/mol
LogP3.83
Rot. Bonds7

About methyl 3-[6-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride

methyl 3-[6-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride (PubChem CID 71453641) has the molecular formula C19H29ClN2O4 and a molecular weight of 384.90 g/mol. Its IUPAC name is methyl 3-[6-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[6-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride
PubChem CID71453641
Molecular FormulaC19H29ClN2O4
Molecular Weight384.90 g/mol
Exact Mass384.18
IUPAC Namemethyl 3-[6-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride
SMILESCCCCN(C)C(=O)Oc1ccc2c(c1)N(C)CC2CCC(=O)OC.Cl
InChIInChI=1S/C19H28N2O4.ClH/c1-5-6-11-20(2)19(23)25-15-8-9-16-14(7-10-18(22)24-4)13-21(3)17(16)12-15;/h8-9,12,14H,5-7,10-11,13H2,1-4H3;1H
InChIKeyNBJWXULPDMULSY-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

Analyze methyl 3-[6-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride with MolForge

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Related Compounds

16-Methoxytabersonine
CID 443356
Nsc756093
CID 91826517
1-(2-Dimethylamino-ethyl)-6-methoxy-4-(4-methoxy-phenyl)-3-methyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
CID 15128706
methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride
CID 71459014
methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate
CID 71459015
Methyl 3-[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride
CID 71459016
methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride
CID 71461080
Methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride
CID 71462531
[3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;dihydrochloride
CID 71535147
1-[3-(4-Methoxyphenyl)propanoyl]indoline
CID 898384
2-[2-(7-methoxy-2,2,4-trimethylquinolin-1(2H)-yl)-2-oxoethyl]hexahydro-1H-isoindole-1,3(2H)-dione
CID 2913780
Cyano-[1-(4-methoxy-benzyl)-2-oxo-2,3-dihydro-1H-indol-3-yl]-acetic acid
CID 11024164

Frequently Asked Questions

What is the IUPAC name of methyl 3-[6-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride?
The IUPAC name of methyl 3-[6-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride (CID 71453641) is methyl 3-[6-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[6-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[6-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride is CCCCN(C)C(=O)Oc1ccc2c(c1)N(C)CC2CCC(=O)OC.Cl.
What is the InChIKey of methyl 3-[6-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride?
The InChIKey is NBJWXULPDMULSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4.ClH/c1-5-6-11-20(2)19(23)25-15-8-9-16-14(7-10-18(22)24-4)13-21(3)17(16)12-15;/h8-9,12,14H,5-7,10-11,13H2,1-4H3;1H.
What are the key properties of methyl 3-[6-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride?
methyl 3-[6-[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-[6-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride is sourced from PubChem (CID 71453641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).