1-N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-methylnaphthalene

C36H45N3O4 — CID 142242598

About 1-N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-methylnaphthalene

1-N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-methylnaphthalene (PubChem CID 142242598) has the molecular formula C36H45N3O4 and a molecular weight of 583.77 g/mol. Its IUPAC name is 1-N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-methylnaphthalene.

Molecular Properties

• Compound Name: 1-N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-methylnaphthalene
• PubChem CID: 142242598
• Molecular Formula: C36H45N3O4
• Molecular Weight: 583.77 g/mol
• Exact Mass: 583.34
• IUPAC Name: 1-N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-methylnaphthalene
• SMILES: CCCN(CCC)C(=O)c1cccc(C(=O)NCC(O)CNCc2cccc(OC)c2)c1.Cc1cccc2ccccc12
• InChI: InChI=1S/C25H35N3O4.C11H10/c1-4-12-28(13-5-2)25(31)21-10-7-9-20(15-21)24(30)27-18-22(29)17-26-16-19-8-6-11-23(14-19)32-3;1-9-5-4-7-10-6-2-3-8-11(9)10/h6-11,14-15,22,26,29H,4-5,12-13,16-18H2,1-3H3,(H,27,30);2-8H,1H3
• InChIKey: DBKRIHQJHKAXRZ-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 90.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.77
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-methylnaphthalene?

The IUPAC name of 1-N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-methylnaphthalene (CID 142242598) is 1-N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-methylnaphthalene.

What is the SMILES notation for 1-N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-methylnaphthalene?

The canonical SMILES for 1-N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-methylnaphthalene is CCCN(CCC)C(=O)c1cccc(C(=O)NCC(O)CNCc2cccc(OC)c2)c1.Cc1cccc2ccccc12.

What is the InChIKey of 1-N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-methylnaphthalene?

The InChIKey is DBKRIHQJHKAXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4.C11H10/c1-4-12-28(13-5-2)25(31)21-10-7-9-20(15-21)24(30)27-18-22(29)17-26-16-19-8-6-11-23(14-19)32-3;1-9-5-4-7-10-6-2-3-8-11(9)10/h6-11,14-15,22,26,29H,4-5,12-13,16-18H2,1-3H3,(H,27,30);2-8H,1H3.

What are the key properties of 1-N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-methylnaphthalene?

1-N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-methylnaphthalene has a molecular weight of 583.77 g/mol, XLogP of 5.99, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-methylnaphthalene is sourced from PubChem (CID 142242598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).