1-amino-4-methoxy-N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydroindene-1-carboxamide

C18H26N2O3 — CID 138010631

IUPAC1-amino-4-methoxy-N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydroindene-1-carboxamide
SMILESCOc1cccc2c1CCC2(N)C(=O)N(C)CC1CCOCC1
InChIInChI=1S/C18H26N2O3/c1-20(12-13-7-10-23-11-8-13)17(21)18(19)9-6-14-15(18)4-3-5-16(14)22-2/h3-5,13H,6-12,19H2,1-2H3
InChIKeyIURSPMAYHDANIU-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.68
Rot. Bonds4

About 1-amino-4-methoxy-N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydroindene-1-carboxamide

1-amino-4-methoxy-N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydroindene-1-carboxamide (PubChem CID 138010631) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-amino-4-methoxy-N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name1-amino-4-methoxy-N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydroindene-1-carboxamide
PubChem CID138010631
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-amino-4-methoxy-N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydroindene-1-carboxamide
SMILESCOc1cccc2c1CCC2(N)C(=O)N(C)CC1CCOCC1
InChIInChI=1S/C18H26N2O3/c1-20(12-13-7-10-23-11-8-13)17(21)18(19)9-6-14-15(18)4-3-5-16(14)22-2/h3-5,13H,6-12,19H2,1-2H3
InChIKeyIURSPMAYHDANIU-UHFFFAOYSA-N
XLogP1.68
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-methoxy-N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 1-amino-4-methoxy-N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydroindene-1-carboxamide (CID 138010631) is 1-amino-4-methoxy-N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 1-amino-4-methoxy-N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 1-amino-4-methoxy-N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydroindene-1-carboxamide is COc1cccc2c1CCC2(N)C(=O)N(C)CC1CCOCC1.
What is the InChIKey of 1-amino-4-methoxy-N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydroindene-1-carboxamide?
The InChIKey is IURSPMAYHDANIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-20(12-13-7-10-23-11-8-13)17(21)18(19)9-6-14-15(18)4-3-5-16(14)22-2/h3-5,13H,6-12,19H2,1-2H3.
What are the key properties of 1-amino-4-methoxy-N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydroindene-1-carboxamide?
1-amino-4-methoxy-N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydroindene-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-methoxy-N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 138010631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).