2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide

C12H16N2O4 — CID 47415526

IUPAC2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCNC(=O)c1ccc(OC)cc1O
InChIInChI=1S/C12H16N2O4/c1-13-11(16)5-6-14-12(17)9-4-3-8(18-2)7-10(9)15/h3-4,7,15H,5-6H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyGRQHWWSBZQVZCI-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.27
Rot. Bonds5

About 2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide

2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 47415526) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
PubChem CID47415526
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCNC(=O)c1ccc(OC)cc1O
InChIInChI=1S/C12H16N2O4/c1-13-11(16)5-6-14-12(17)9-4-3-8(18-2)7-10(9)15/h3-4,7,15H,5-6H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyGRQHWWSBZQVZCI-UHFFFAOYSA-N
XLogP0.27
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 115413099
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117
2-hydroxy-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039381
2-hydroxy-4-methoxy-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 51097476
2-hydroxy-4-methoxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 103604676
2-hydroxy-4-methoxy-N-(4-methylsulfanylbutyl)benzamide
CID 113238429
2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide
CID 103722588
N-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 61220987
2-hydroxy-4-methoxy-N-(3-propoxypropyl)benzamide
CID 82943037
2-hydroxy-4-methoxy-N-(3-methylsulfanylbutyl)benzamide
CID 115604496
2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide
CID 114617408

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide (CID 47415526) is 2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)CCNC(=O)c1ccc(OC)cc1O.
What is the InChIKey of 2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is GRQHWWSBZQVZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-13-11(16)5-6-14-12(17)9-4-3-8(18-2)7-10(9)15/h3-4,7,15H,5-6H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of 2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide?
2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 252.27 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 47415526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).