[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone

C19H28N2O2 — CID 120929973

IUPAC[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone
SMILESCC(C)(C)c1ccc2c(c1)CCN2C(=O)C1(CN)CCOCC1
InChIInChI=1S/C19H28N2O2/c1-18(2,3)15-4-5-16-14(12-15)6-9-21(16)17(22)19(13-20)7-10-23-11-8-19/h4-5,12H,6-11,13,20H2,1-3H3
InChIKeyQEZCTRZVERPCAO-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.63
Rot. Bonds2

About [4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone

[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 120929973) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone
PubChem CID120929973
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone
SMILESCC(C)(C)c1ccc2c(c1)CCN2C(=O)C1(CN)CCOCC1
InChIInChI=1S/C19H28N2O2/c1-18(2,3)15-4-5-16-14(12-15)6-9-21(16)17(22)19(13-20)7-10-23-11-8-19/h4-5,12H,6-11,13,20H2,1-3H3
InChIKeyQEZCTRZVERPCAO-UHFFFAOYSA-N
XLogP2.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone (CID 120929973) is [4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone is CC(C)(C)c1ccc2c(c1)CCN2C(=O)C1(CN)CCOCC1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is QEZCTRZVERPCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-18(2,3)15-4-5-16-14(12-15)6-9-21(16)17(22)19(13-20)7-10-23-11-8-19/h4-5,12H,6-11,13,20H2,1-3H3.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone?
[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 316.44 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 120929973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).