2-hydroxy-N-(3-methoxypropyl)-3,4-dimethylbenzamide

C13H19NO3 — CID 47268064

IUPAC2-hydroxy-N-(3-methoxypropyl)-3,4-dimethylbenzamide
SMILESCOCCCNC(=O)c1ccc(C)c(C)c1O
InChIInChI=1S/C13H19NO3/c1-9-5-6-11(12(15)10(9)2)13(16)14-7-4-8-17-3/h5-6,15H,4,7-8H2,1-3H3,(H,14,16)
InChIKeyUKSYQKMRSRMWON-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.78
Rot. Bonds5

About 2-hydroxy-N-(3-methoxypropyl)-3,4-dimethylbenzamide

2-hydroxy-N-(3-methoxypropyl)-3,4-dimethylbenzamide (PubChem CID 47268064) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-hydroxy-N-(3-methoxypropyl)-3,4-dimethylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-methoxypropyl)-3,4-dimethylbenzamide
PubChem CID47268064
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-hydroxy-N-(3-methoxypropyl)-3,4-dimethylbenzamide
SMILESCOCCCNC(=O)c1ccc(C)c(C)c1O
InChIInChI=1S/C13H19NO3/c1-9-5-6-11(12(15)10(9)2)13(16)14-7-4-8-17-3/h5-6,15H,4,7-8H2,1-3H3,(H,14,16)
InChIKeyUKSYQKMRSRMWON-UHFFFAOYSA-N
XLogP1.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 104936500
4-chloro-2-hydroxy-N-(3-methoxypropyl)benzamide
CID 43090061
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-hydroxy-3,4-dimethylbenzamide
CID 78895454
2,5-dimethoxy-N-(3-methoxypropyl)-4-methylbenzamide
CID 110763222
2,3-dihydroxy-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide;dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate
CID 159716996
2-fluoro-N-(5-methoxypentyl)-3-methylbenzamide
CID 103764860
N-(3-methoxypropyl)-2-methyl-3-nitrobenzamide
CID 2223736
4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide
CID 43090254
2-benzoyl-N-(3-methoxypropyl)benzamide
CID 11841231
2-hydroxy-4-methoxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 103604676

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(3-methoxypropyl)-3,4-dimethylbenzamide?
The IUPAC name of 2-hydroxy-N-(3-methoxypropyl)-3,4-dimethylbenzamide (CID 47268064) is 2-hydroxy-N-(3-methoxypropyl)-3,4-dimethylbenzamide.
What is the SMILES notation for 2-hydroxy-N-(3-methoxypropyl)-3,4-dimethylbenzamide?
The canonical SMILES for 2-hydroxy-N-(3-methoxypropyl)-3,4-dimethylbenzamide is COCCCNC(=O)c1ccc(C)c(C)c1O.
What is the InChIKey of 2-hydroxy-N-(3-methoxypropyl)-3,4-dimethylbenzamide?
The InChIKey is UKSYQKMRSRMWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-5-6-11(12(15)10(9)2)13(16)14-7-4-8-17-3/h5-6,15H,4,7-8H2,1-3H3,(H,14,16).
What are the key properties of 2-hydroxy-N-(3-methoxypropyl)-3,4-dimethylbenzamide?
2-hydroxy-N-(3-methoxypropyl)-3,4-dimethylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-methoxypropyl)-3,4-dimethylbenzamide is sourced from PubChem (CID 47268064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).