2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone

C18H26N2O2 — CID 134052196

IUPAC2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN(C)C2CCc3ccccc32)CC(C)O1
InChIInChI=1S/C18H26N2O2/c1-13-10-20(11-14(2)22-13)18(21)12-19(3)17-9-8-15-6-4-5-7-16(15)17/h4-7,13-14,17H,8-12H2,1-3H3
InChIKeyKYYHQPCFVVEKMB-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.24
Rot. Bonds3

About 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone

2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 134052196) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID134052196
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN(C)C2CCc3ccccc32)CC(C)O1
InChIInChI=1S/C18H26N2O2/c1-13-10-20(11-14(2)22-13)18(21)12-19(3)17-9-8-15-6-4-5-7-16(15)17/h4-7,13-14,17H,8-12H2,1-3H3
InChIKeyKYYHQPCFVVEKMB-UHFFFAOYSA-N
XLogP2.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 36674560
2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-1-piperazin-1-ylethanone
CID 61017757
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(methylcarbamoyl)acetamide
CID 47147183
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8552435
2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 111799381
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 134052147
1-(2,6-dimethylmorpholin-4-yl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
CID 86911554
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-methylphenyl)acetamide
CID 36674283
2-[azetidin-3-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 66187363
N-(tert-butylcarbamoyl)-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide
CID 134043055
N'-(2,3-dihydro-1H-inden-1-yl)-N'-methylethane-1,2-diamine
CID 62682207

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 134052196) is 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)CN(C)C2CCc3ccccc32)CC(C)O1.
What is the InChIKey of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is KYYHQPCFVVEKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-10-20(11-14(2)22-13)18(21)12-19(3)17-9-8-15-6-4-5-7-16(15)17/h4-7,13-14,17H,8-12H2,1-3H3.
What are the key properties of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 302.42 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 134052196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).