2,5-dihydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide

C14H21NO5 — CID 103892150

IUPAC2,5-dihydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
SMILESCOCCCN(CCOC)C(=O)c1cc(O)ccc1O
InChIInChI=1S/C14H21NO5/c1-19-8-3-6-15(7-9-20-2)14(18)12-10-11(16)4-5-13(12)17/h4-5,10,16-17H,3,6-9H2,1-2H3
InChIKeyBBQVFLRRSNTSKT-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.22
Rot. Bonds8

About 2,5-dihydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide

2,5-dihydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide (PubChem CID 103892150) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
PubChem CID103892150
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2,5-dihydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
SMILESCOCCCN(CCOC)C(=O)c1cc(O)ccc1O
InChIInChI=1S/C14H21NO5/c1-19-8-3-6-15(7-9-20-2)14(18)12-10-11(16)4-5-13(12)17/h4-5,10,16-17H,3,6-9H2,1-2H3
InChIKeyBBQVFLRRSNTSKT-UHFFFAOYSA-N
XLogP1.22
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methylbenzamide
CID 61073232
3-hydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 54989912
2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 103892100
N-(2-chloroethyl)-5-fluoro-2-hydroxy-N-(2-methoxyethyl)benzamide
CID 113468216
5-chloro-2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 61074145
2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 54915998
3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 79672066
2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103339084
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-chloro-5-hydroxy-N-(2-methoxyethyl)benzamide
CID 106502796
2,5-dihydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 107722509
N-(2,2-difluoroethyl)-2,4-dihydroxy-N-(2-methoxyethyl)benzamide
CID 122149694
N-(3-amino-3-sulfanylidenepropyl)-2-fluoro-4-hydroxy-N-(2-methoxyethyl)benzamide
CID 107676080

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide?
The IUPAC name of 2,5-dihydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide (CID 103892150) is 2,5-dihydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 2,5-dihydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide is COCCCN(CCOC)C(=O)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide?
The InChIKey is BBQVFLRRSNTSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-19-8-3-6-15(7-9-20-2)14(18)12-10-11(16)4-5-13(12)17/h4-5,10,16-17H,3,6-9H2,1-2H3.
What are the key properties of 2,5-dihydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide?
2,5-dihydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide has a molecular weight of 283.32 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 103892150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).