2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carboxamide

C16H25N3O — CID 61005096

IUPAC2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carboxamide
SMILESCCN(CC)CCNC1(C(N)=O)Cc2ccccc2C1
InChIInChI=1S/C16H25N3O/c1-3-19(4-2)10-9-18-16(15(17)20)11-13-7-5-6-8-14(13)12-16/h5-8,18H,3-4,9-12H2,1-2H3,(H2,17,20)
InChIKeySJIDXKYCLIWLLX-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.94
Rot. Bonds7

About 2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carboxamide

2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carboxamide (PubChem CID 61005096) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carboxamide
PubChem CID61005096
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carboxamide
SMILESCCN(CC)CCNC1(C(N)=O)Cc2ccccc2C1
InChIInChI=1S/C16H25N3O/c1-3-19(4-2)10-9-18-16(15(17)20)11-13-7-5-6-8-14(13)12-16/h5-8,18H,3-4,9-12H2,1-2H3,(H2,17,20)
InChIKeySJIDXKYCLIWLLX-UHFFFAOYSA-N
XLogP0.94
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carboxamide (CID 61005096) is 2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carboxamide is CCN(CC)CCNC1(C(N)=O)Cc2ccccc2C1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carboxamide?
The InChIKey is SJIDXKYCLIWLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-19(4-2)10-9-18-16(15(17)20)11-13-7-5-6-8-14(13)12-16/h5-8,18H,3-4,9-12H2,1-2H3,(H2,17,20).
What are the key properties of 2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carboxamide?
2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 61005096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).