2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate

C18H24N2O4 — CID 166467171

IUPAC2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
SMILESCC(C)C(=O)OCOC(=O)n1cc(CCN(C)C)c2ccccc21
InChIInChI=1S/C18H24N2O4/c1-13(2)17(21)23-12-24-18(22)20-11-14(9-10-19(3)4)15-7-5-6-8-16(15)20/h5-8,11,13H,9-10,12H2,1-4H3
InChIKeyZFOBEQSOCFPHJX-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.89
Rot. Bonds6

About 2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate

2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate (PubChem CID 166467171) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate.

Molecular Properties

Compound Name2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
PubChem CID166467171
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
SMILESCC(C)C(=O)OCOC(=O)n1cc(CCN(C)C)c2ccccc21
InChIInChI=1S/C18H24N2O4/c1-13(2)17(21)23-12-24-18(22)20-11-14(9-10-19(3)4)15-7-5-6-8-16(15)20/h5-8,11,13H,9-10,12H2,1-4H3
InChIKeyZFOBEQSOCFPHJX-UHFFFAOYSA-N
XLogP2.89
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-[[3-[2-(dimethylamino)ethyl]indole-1-carbonyl]oxymethoxy]-6-oxohexanoic acid
CID 166467624
2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931011
(1-methylazetidine-3-carbonyl)oxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467441
oxane-4-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467234
propan-2-yloxycarbonyl 3-[2-(dimethylamino)ethyl]indole-1-carboperoxoate
CID 166467483
oxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467776
[1-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1-oxopropan-2-yl] carbamate
CID 175590036
(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467519
(2-hydroxy-5-methyl-1,3-dioxol-4-yl)methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 167307085
2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride
CID 166467543
methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168930845
methyl 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-4-oxobutanoate
CID 166467362

Frequently Asked Questions

What is the IUPAC name of 2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate?
The IUPAC name of 2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate (CID 166467171) is 2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate.
What is the SMILES notation for 2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate?
The canonical SMILES for 2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate is CC(C)C(=O)OCOC(=O)n1cc(CCN(C)C)c2ccccc21.
What is the InChIKey of 2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate?
The InChIKey is ZFOBEQSOCFPHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-13(2)17(21)23-12-24-18(22)20-11-14(9-10-19(3)4)15-7-5-6-8-16(15)20/h5-8,11,13H,9-10,12H2,1-4H3.
What are the key properties of 2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate?
2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate is sourced from PubChem (CID 166467171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).