methyl 5-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methylamino]-5-oxopentanoate

C24H30N2O3 — CID 23723944

IUPACmethyl 5-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methylamino]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)NCC1(N(C)Cc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C24H30N2O3/c1-26(17-19-9-4-3-5-10-19)24(15-20-11-6-7-12-21(20)16-24)18-25-22(27)13-8-14-23(28)29-2/h3-7,9-12H,8,13-18H2,1-2H3,(H,25,27)
InChIKeyPIOGVKJRPBBGRW-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.12
Rot. Bonds9

About methyl 5-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methylamino]-5-oxopentanoate

methyl 5-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methylamino]-5-oxopentanoate (PubChem CID 23723944) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is methyl 5-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methylamino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methylamino]-5-oxopentanoate
PubChem CID23723944
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Namemethyl 5-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methylamino]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)NCC1(N(C)Cc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C24H30N2O3/c1-26(17-19-9-4-3-5-10-19)24(15-20-11-6-7-12-21(20)16-24)18-25-22(27)13-8-14-23(28)29-2/h3-7,9-12H,8,13-18H2,1-2H3,(H,25,27)
InChIKeyPIOGVKJRPBBGRW-UHFFFAOYSA-N
XLogP3.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methylamino]-5-oxopentanoate?
The IUPAC name of methyl 5-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methylamino]-5-oxopentanoate (CID 23723944) is methyl 5-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methylamino]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methylamino]-5-oxopentanoate?
The canonical SMILES for methyl 5-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methylamino]-5-oxopentanoate is COC(=O)CCCC(=O)NCC1(N(C)Cc2ccccc2)Cc2ccccc2C1.
What is the InChIKey of methyl 5-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methylamino]-5-oxopentanoate?
The InChIKey is PIOGVKJRPBBGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-26(17-19-9-4-3-5-10-19)24(15-20-11-6-7-12-21(20)16-24)18-25-22(27)13-8-14-23(28)29-2/h3-7,9-12H,8,13-18H2,1-2H3,(H,25,27).
What are the key properties of methyl 5-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methylamino]-5-oxopentanoate?
methyl 5-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methylamino]-5-oxopentanoate has a molecular weight of 394.52 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methylamino]-5-oxopentanoate is sourced from PubChem (CID 23723944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).