[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate

C16H20N2O4 — CID 8567316

IUPAC[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
SMILESCNC(=O)CNC(=O)COC(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H20N2O4/c1-17-14(19)9-18-15(20)10-22-16(21)8-11-5-6-12-3-2-4-13(12)7-11/h5-7H,2-4,8-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyJTUHSZUDTVHFGB-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.12
Rot. Bonds6

About [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate

[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate (PubChem CID 8567316) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate.

Molecular Properties

Compound Name[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
PubChem CID8567316
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
SMILESCNC(=O)CNC(=O)COC(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H20N2O4/c1-17-14(19)9-18-15(20)10-22-16(21)8-11-5-6-12-3-2-4-13(12)7-11/h5-7H,2-4,8-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyJTUHSZUDTVHFGB-UHFFFAOYSA-N
XLogP0.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate with MolForge

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Related Compounds

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8536176
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667626
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535723
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8536122
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535883
2-(2,3-dihydro-1H-inden-5-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65112006
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8536503
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523454
2-methylsulfanylethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 78832622
methyl 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoate
CID 60645922
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535572

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate?
The IUPAC name of [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate (CID 8567316) is [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate.
What is the SMILES notation for [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate?
The canonical SMILES for [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate is CNC(=O)CNC(=O)COC(=O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate?
The InChIKey is JTUHSZUDTVHFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-17-14(19)9-18-15(20)10-22-16(21)8-11-5-6-12-3-2-4-13(12)7-11/h5-7H,2-4,8-10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate?
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate has a molecular weight of 304.35 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate is sourced from PubChem (CID 8567316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).