N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide

C13H20N2O2 — CID 79192606

IUPACN-[4-(dimethylamino)phenyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-10(16)4-9-13(17)14-11-5-7-12(8-6-11)15(2)3/h5-8,10,16H,4,9H2,1-3H3,(H,14,17)
InChIKeyXJBILLORLUEOSE-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.85
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide

N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide (PubChem CID 79192606) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-4-hydroxypentanamide
PubChem CID79192606
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[4-(dimethylamino)phenyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-10(16)4-9-13(17)14-11-5-7-12(8-6-11)15(2)3/h5-8,10,16H,4,9H2,1-3H3,(H,14,17)
InChIKeyXJBILLORLUEOSE-UHFFFAOYSA-N
XLogP1.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(4-hydroxypentanoylamino)-N,N-dimethylbenzamide
CID 79191364
N-[4-(dimethylamino)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012874
(2R)-2-chloro-N-[3-[4-(dimethylamino)anilino]-3-oxopropyl]propanamide
CID 40803430
3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide
CID 109036871
N-[4-(dimethylamino)phenyl]-3-(ethylamino)propanamide
CID 62832499
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
N-[4-(4-hydroxypentanoylamino)phenyl]cyclopropanecarboxamide
CID 79193207
N-[4-(dimethylamino)phenyl]-3,4,4-trimethylpentanamide
CID 86901166
N-[4-(dimethylamino)phenyl]-3-phenylpropanamide
CID 874810
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide
CID 17454431

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide (CID 79192606) is N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide is CC(O)CCC(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide?
The InChIKey is XJBILLORLUEOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(16)4-9-13(17)14-11-5-7-12(8-6-11)15(2)3/h5-8,10,16H,4,9H2,1-3H3,(H,14,17).
What are the key properties of N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide?
N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide has a molecular weight of 236.31 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide is sourced from PubChem (CID 79192606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).