3-[3-(diethylamino)propyl]-2-N-(2-methylcyclohexyl)-4-oxo-6-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

About 3-[3-(diethylamino)propyl]-2-N-(2-methylcyclohexyl)-4-oxo-6-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

3-[3-(diethylamino)propyl]-2-N-(2-methylcyclohexyl)-4-oxo-6-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide (PubChem CID 46504114) has the molecular formula C33H48N4O4 and a molecular weight of 564.77 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl]-2-N-(2-methylcyclohexyl)-4-oxo-6-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide.

Molecular Properties

Compound Name	3-[3-(diethylamino)propyl]-2-N-(2-methylcyclohexyl)-4-oxo-6-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
PubChem CID	46504114
Molecular Formula	C33H48N4O4
Molecular Weight	564.77 g/mol
Exact Mass	564.37
IUPAC Name	3-[3-(diethylamino)propyl]-2-N-(2-methylcyclohexyl)-4-oxo-6-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
SMILES	CCN(CC)CCCN1C(=O)C2C(C(=O)Nc3ccc(C(C)C)cc3)C3C=CC2(O3)C1C(=O)NC1CCCCC1C
InChI	InChI=1S/C33H48N4O4/c1-6-36(7-2)19-10-20-37-29(31(39)35-25-12-9-8-11-22(25)5)33-18-17-26(41-33)27(28(33)32(37)40)30(38)34-24-15-13-23(14-16-24)21(3)4/h13-18,21-22,25-29H,6-12,19-20H2,1-5H3,(H,34,38)(H,35,39)
InChIKey	UHAXUYGWIPHWGN-UHFFFAOYSA-N
XLogP	4.33
TPSA	90.98 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	11
Heavy Atoms	41
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.77
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)propyl]-2-N-(2-methylcyclohexyl)-4-oxo-6-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?

The IUPAC name of 3-[3-(diethylamino)propyl]-2-N-(2-methylcyclohexyl)-4-oxo-6-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide (CID 46504114) is 3-[3-(diethylamino)propyl]-2-N-(2-methylcyclohexyl)-4-oxo-6-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide.

What is the SMILES notation for 3-[3-(diethylamino)propyl]-2-N-(2-methylcyclohexyl)-4-oxo-6-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?

The canonical SMILES for 3-[3-(diethylamino)propyl]-2-N-(2-methylcyclohexyl)-4-oxo-6-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide is CCN(CC)CCCN1C(=O)C2C(C(=O)Nc3ccc(C(C)C)cc3)C3C=CC2(O3)C1C(=O)NC1CCCCC1C.

What is the InChIKey of 3-[3-(diethylamino)propyl]-2-N-(2-methylcyclohexyl)-4-oxo-6-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?

The InChIKey is UHAXUYGWIPHWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48N4O4/c1-6-36(7-2)19-10-20-37-29(31(39)35-25-12-9-8-11-22(25)5)33-18-17-26(41-33)27(28(33)32(37)40)30(38)34-24-15-13-23(14-16-24)21(3)4/h13-18,21-22,25-29H,6-12,19-20H2,1-5H3,(H,34,38)(H,35,39).

What are the key properties of 3-[3-(diethylamino)propyl]-2-N-(2-methylcyclohexyl)-4-oxo-6-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?

3-[3-(diethylamino)propyl]-2-N-(2-methylcyclohexyl)-4-oxo-6-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide has a molecular weight of 564.77 g/mol, XLogP of 4.33, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(diethylamino)propyl]-2-N-(2-methylcyclohexyl)-4-oxo-6-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide is sourced from PubChem (CID 46504114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).