N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide

C13H19NO4 — CID 79019431

IUPACN-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
SMILESCOc1ccc(NC(=O)CCCCO)c(OC)c1
InChIInChI=1S/C13H19NO4/c1-17-10-6-7-11(12(9-10)18-2)14-13(16)5-3-4-8-15/h6-7,9,15H,3-5,8H2,1-2H3,(H,14,16)
InChIKeyHXVQZXWFIOVPSY-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.80
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide

N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide (PubChem CID 79019431) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
PubChem CID79019431
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
SMILESCOc1ccc(NC(=O)CCCCO)c(OC)c1
InChIInChI=1S/C13H19NO4/c1-17-10-6-7-11(12(9-10)18-2)14-13(16)5-3-4-8-15/h6-7,9,15H,3-5,8H2,1-2H3,(H,14,16)
InChIKeyHXVQZXWFIOVPSY-UHFFFAOYSA-N
XLogP1.80
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.80
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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Related Compounds

N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanamide
CID 5059200
N-(2,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26692146
N-(2,4-dimethoxyphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678307
N-(2,4-dimethoxyphenyl)-5-[(3R)-dithiolan-3-yl]pentanamide
CID 92826449
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide
CID 109032275
N-(2,4-dimethoxyphenyl)-3-(prop-2-enylamino)propanamide
CID 109012115
N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689020
N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875892
4-hydroxy-N-[4-methoxy-2-(trifluoromethyl)phenyl]butanamide
CID 79200697

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide (CID 79019431) is N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide is COc1ccc(NC(=O)CCCCO)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide?
The InChIKey is HXVQZXWFIOVPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-17-10-6-7-11(12(9-10)18-2)14-13(16)5-3-4-8-15/h6-7,9,15H,3-5,8H2,1-2H3,(H,14,16).
What are the key properties of N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide?
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide has a molecular weight of 253.30 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide is sourced from PubChem (CID 79019431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).