methyl 4-[2-(aminomethyl)pentoxy]-7-methoxy-1-methylindole-2-carboxylate

C18H26N2O4 — CID 141320002

IUPACmethyl 4-[2-(aminomethyl)pentoxy]-7-methoxy-1-methylindole-2-carboxylate
SMILESCCCC(CN)COc1ccc(OC)c2c1cc(C(=O)OC)n2C
InChIInChI=1S/C18H26N2O4/c1-5-6-12(10-19)11-24-15-7-8-16(22-3)17-13(15)9-14(20(17)2)18(21)23-4/h7-9,12H,5-6,10-11,19H2,1-4H3
InChIKeyNJZZAFZBEWXHBF-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.73
Rot. Bonds8

About methyl 4-[2-(aminomethyl)pentoxy]-7-methoxy-1-methylindole-2-carboxylate

methyl 4-[2-(aminomethyl)pentoxy]-7-methoxy-1-methylindole-2-carboxylate (PubChem CID 141320002) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl 4-[2-(aminomethyl)pentoxy]-7-methoxy-1-methylindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(aminomethyl)pentoxy]-7-methoxy-1-methylindole-2-carboxylate
PubChem CID141320002
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Namemethyl 4-[2-(aminomethyl)pentoxy]-7-methoxy-1-methylindole-2-carboxylate
SMILESCCCC(CN)COc1ccc(OC)c2c1cc(C(=O)OC)n2C
InChIInChI=1S/C18H26N2O4/c1-5-6-12(10-19)11-24-15-7-8-16(22-3)17-13(15)9-14(20(17)2)18(21)23-4/h7-9,12H,5-6,10-11,19H2,1-4H3
InChIKeyNJZZAFZBEWXHBF-UHFFFAOYSA-N
XLogP2.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4,7-dimethoxy-1-methylindole-2-carboxylate
CID 4777665
(2S)-2-[[7-methoxy-1-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-4-yl]oxymethyl]pentan-1-amine
CID 141319989
methyl 7-methoxy-1,4-dimethylindole-2-carboxylate
CID 132843169
ethyl 7-bromo-4-methoxy-1-methylindole-2-carboxylate
CID 142441387
methyl 5-methoxy-1-methyl-4-phenylmethoxyindole-2-carboxylate
CID 10404037
7-methoxy-1,4-dimethylindole-2-carboxylic acid
CID 83486446
1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone
CID 82372628
methyl 4-chloro-5-methoxy-1-methylindole-2-carboxylate
CID 130408728
1-[4-[2-(bromomethyl)pentoxy]-3-methoxyphenyl]ethanone
CID 65010866
2-[(2-bromophenoxy)methyl]pentan-1-amine
CID 117241854
(2S)-2-[[(2S)-2-[(4,7-dimethoxy-1-methylindole-2-carbonyl)amino]propanoyl]amino]propanoic acid
CID 7070161
methyl 5,7-dimethoxy-1-methylindole-2-carboxylate
CID 102511974

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(aminomethyl)pentoxy]-7-methoxy-1-methylindole-2-carboxylate?
The IUPAC name of methyl 4-[2-(aminomethyl)pentoxy]-7-methoxy-1-methylindole-2-carboxylate (CID 141320002) is methyl 4-[2-(aminomethyl)pentoxy]-7-methoxy-1-methylindole-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(aminomethyl)pentoxy]-7-methoxy-1-methylindole-2-carboxylate?
The canonical SMILES for methyl 4-[2-(aminomethyl)pentoxy]-7-methoxy-1-methylindole-2-carboxylate is CCCC(CN)COc1ccc(OC)c2c1cc(C(=O)OC)n2C.
What is the InChIKey of methyl 4-[2-(aminomethyl)pentoxy]-7-methoxy-1-methylindole-2-carboxylate?
The InChIKey is NJZZAFZBEWXHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-5-6-12(10-19)11-24-15-7-8-16(22-3)17-13(15)9-14(20(17)2)18(21)23-4/h7-9,12H,5-6,10-11,19H2,1-4H3.
What are the key properties of methyl 4-[2-(aminomethyl)pentoxy]-7-methoxy-1-methylindole-2-carboxylate?
methyl 4-[2-(aminomethyl)pentoxy]-7-methoxy-1-methylindole-2-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(aminomethyl)pentoxy]-7-methoxy-1-methylindole-2-carboxylate is sourced from PubChem (CID 141320002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).