5-(dimethylamino)-N,N-bis(4-hydroxyphenyl)pentanamide

C19H24N2O3 — CID 54209709

IUPAC5-(dimethylamino)-N,N-bis(4-hydroxyphenyl)pentanamide
SMILESCN(C)CCCCC(=O)N(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C19H24N2O3/c1-20(2)14-4-3-5-19(24)21(15-6-10-17(22)11-7-15)16-8-12-18(23)13-9-16/h6-13,22-23H,3-5,14H2,1-2H3
InChIKeyPVBWNKQFIHODJE-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.49
Rot. Bonds7

About 5-(dimethylamino)-N,N-bis(4-hydroxyphenyl)pentanamide

5-(dimethylamino)-N,N-bis(4-hydroxyphenyl)pentanamide (PubChem CID 54209709) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 5-(dimethylamino)-N,N-bis(4-hydroxyphenyl)pentanamide.

Molecular Properties

Compound Name5-(dimethylamino)-N,N-bis(4-hydroxyphenyl)pentanamide
PubChem CID54209709
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name5-(dimethylamino)-N,N-bis(4-hydroxyphenyl)pentanamide
SMILESCN(C)CCCCC(=O)N(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C19H24N2O3/c1-20(2)14-4-3-5-19(24)21(15-6-10-17(22)11-7-15)16-8-12-18(23)13-9-16/h6-13,22-23H,3-5,14H2,1-2H3
InChIKeyPVBWNKQFIHODJE-UHFFFAOYSA-N
XLogP3.49
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N,N-bis(4-hydroxyphenyl)pentanamide?
The IUPAC name of 5-(dimethylamino)-N,N-bis(4-hydroxyphenyl)pentanamide (CID 54209709) is 5-(dimethylamino)-N,N-bis(4-hydroxyphenyl)pentanamide.
What is the SMILES notation for 5-(dimethylamino)-N,N-bis(4-hydroxyphenyl)pentanamide?
The canonical SMILES for 5-(dimethylamino)-N,N-bis(4-hydroxyphenyl)pentanamide is CN(C)CCCCC(=O)N(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 5-(dimethylamino)-N,N-bis(4-hydroxyphenyl)pentanamide?
The InChIKey is PVBWNKQFIHODJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-20(2)14-4-3-5-19(24)21(15-6-10-17(22)11-7-15)16-8-12-18(23)13-9-16/h6-13,22-23H,3-5,14H2,1-2H3.
What are the key properties of 5-(dimethylamino)-N,N-bis(4-hydroxyphenyl)pentanamide?
5-(dimethylamino)-N,N-bis(4-hydroxyphenyl)pentanamide has a molecular weight of 328.41 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N,N-bis(4-hydroxyphenyl)pentanamide is sourced from PubChem (CID 54209709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).