4-[[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]oxane-4-carboxamide

C18H26N2O2 — CID 86784014

IUPAC4-[[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]oxane-4-carboxamide
SMILESCc1ccc2c(c1)C(NCC1(C(N)=O)CCOCC1)C(C)C2
InChIInChI=1S/C18H26N2O2/c1-12-3-4-14-10-13(2)16(15(14)9-12)20-11-18(17(19)21)5-7-22-8-6-18/h3-4,9,13,16,20H,5-8,10-11H2,1-2H3,(H2,19,21)
InChIKeyOATIFTUVPJNUKI-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.10
Rot. Bonds4

About 4-[[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]oxane-4-carboxamide

4-[[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]oxane-4-carboxamide (PubChem CID 86784014) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-[[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]oxane-4-carboxamide
PubChem CID86784014
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name4-[[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]oxane-4-carboxamide
SMILESCc1ccc2c(c1)C(NCC1(C(N)=O)CCOCC1)C(C)C2
InChIInChI=1S/C18H26N2O2/c1-12-3-4-14-10-13(2)16(15(14)9-12)20-11-18(17(19)21)5-7-22-8-6-18/h3-4,9,13,16,20H,5-8,10-11H2,1-2H3,(H2,19,21)
InChIKeyOATIFTUVPJNUKI-UHFFFAOYSA-N
XLogP2.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]oxane-4-carboxamide?
The IUPAC name of 4-[[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]oxane-4-carboxamide (CID 86784014) is 4-[[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-[[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]oxane-4-carboxamide is Cc1ccc2c(c1)C(NCC1(C(N)=O)CCOCC1)C(C)C2.
What is the InChIKey of 4-[[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]oxane-4-carboxamide?
The InChIKey is OATIFTUVPJNUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12-3-4-14-10-13(2)16(15(14)9-12)20-11-18(17(19)21)5-7-22-8-6-18/h3-4,9,13,16,20H,5-8,10-11H2,1-2H3,(H2,19,21).
What are the key properties of 4-[[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]oxane-4-carboxamide?
4-[[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]oxane-4-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]oxane-4-carboxamide is sourced from PubChem (CID 86784014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).