5-[[8-[3-(dimethylamino)propanoyl]-5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]-7-hydroxy-4-(hydroxymethyl)-3-oxoheptanamide

About 5-[[8-[3-(dimethylamino)propanoyl]-5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]-7-hydroxy-4-(hydroxymethyl)-3-oxoheptanamide

5-[[8-[3-(dimethylamino)propanoyl]-5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]-7-hydroxy-4-(hydroxymethyl)-3-oxoheptanamide (PubChem CID 118083049) has the molecular formula C24H34N2O7 and a molecular weight of 462.54 g/mol. Its IUPAC name is 5-[[8-[3-(dimethylamino)propanoyl]-5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]-7-hydroxy-4-(hydroxymethyl)-3-oxoheptanamide.

Molecular Properties

Compound Name	5-[[8-[3-(dimethylamino)propanoyl]-5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]-7-hydroxy-4-(hydroxymethyl)-3-oxoheptanamide
PubChem CID	118083049
Molecular Formula	C24H34N2O7
Molecular Weight	462.54 g/mol
Exact Mass	462.24
IUPAC Name	5-[[8-[3-(dimethylamino)propanoyl]-5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]-7-hydroxy-4-(hydroxymethyl)-3-oxoheptanamide
SMILES	CN(C)CCC(=O)c1ccc(O)c2c1CC(CC(CCO)C(CO)C(=O)CC(N)=O)CC2=O
InChI	InChI=1S/C24H34N2O7/c1-26(2)7-5-19(29)16-3-4-20(30)24-17(16)10-14(11-22(24)32)9-15(6-8-27)18(13-28)21(31)12-23(25)33/h3-4,14-15,18,27-28,30H,5-13H2,1-2H3,(H2,25,33)
InChIKey	WBTRWCUIXZCLBV-UHFFFAOYSA-N
XLogP	0.71
TPSA	158.23 Å²
H-Bond Donors	4
H-Bond Acceptors	8
Rotatable Bonds	13
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.54
LogP ≤ 5	0.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[[8-[3-(dimethylamino)propanoyl]-5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]-7-hydroxy-4-(hydroxymethyl)-3-oxoheptanamide?

The IUPAC name of 5-[[8-[3-(dimethylamino)propanoyl]-5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]-7-hydroxy-4-(hydroxymethyl)-3-oxoheptanamide (CID 118083049) is 5-[[8-[3-(dimethylamino)propanoyl]-5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]-7-hydroxy-4-(hydroxymethyl)-3-oxoheptanamide.

What is the SMILES notation for 5-[[8-[3-(dimethylamino)propanoyl]-5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]-7-hydroxy-4-(hydroxymethyl)-3-oxoheptanamide?

The canonical SMILES for 5-[[8-[3-(dimethylamino)propanoyl]-5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]-7-hydroxy-4-(hydroxymethyl)-3-oxoheptanamide is CN(C)CCC(=O)c1ccc(O)c2c1CC(CC(CCO)C(CO)C(=O)CC(N)=O)CC2=O.

What is the InChIKey of 5-[[8-[3-(dimethylamino)propanoyl]-5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]-7-hydroxy-4-(hydroxymethyl)-3-oxoheptanamide?

The InChIKey is WBTRWCUIXZCLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O7/c1-26(2)7-5-19(29)16-3-4-20(30)24-17(16)10-14(11-22(24)32)9-15(6-8-27)18(13-28)21(31)12-23(25)33/h3-4,14-15,18,27-28,30H,5-13H2,1-2H3,(H2,25,33).

What are the key properties of 5-[[8-[3-(dimethylamino)propanoyl]-5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]-7-hydroxy-4-(hydroxymethyl)-3-oxoheptanamide?

5-[[8-[3-(dimethylamino)propanoyl]-5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]-7-hydroxy-4-(hydroxymethyl)-3-oxoheptanamide has a molecular weight of 462.54 g/mol, XLogP of 0.71, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[8-[3-(dimethylamino)propanoyl]-5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]methyl]-7-hydroxy-4-(hydroxymethyl)-3-oxoheptanamide is sourced from PubChem (CID 118083049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).