4-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]benzamide

C15H23NO3 — CID 103863566

IUPAC4-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]benzamide
SMILESCc1cc(O)ccc1C(=O)NCCCOCC(C)C
InChIInChI=1S/C15H23NO3/c1-11(2)10-19-8-4-7-16-15(18)14-6-5-13(17)9-12(14)3/h5-6,9,11,17H,4,7-8,10H2,1-3H3,(H,16,18)
InChIKeyOHHNCKAFBCPHOP-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.49
Rot. Bonds7

About 4-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]benzamide

4-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]benzamide (PubChem CID 103863566) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]benzamide
PubChem CID103863566
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]benzamide
SMILESCc1cc(O)ccc1C(=O)NCCCOCC(C)C
InChIInChI=1S/C15H23NO3/c1-11(2)10-19-8-4-7-16-15(18)14-6-5-13(17)9-12(14)3/h5-6,9,11,17H,4,7-8,10H2,1-3H3,(H,16,18)
InChIKeyOHHNCKAFBCPHOP-UHFFFAOYSA-N
XLogP2.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.49
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-fluoro-4-hydroxy-N-[3-(2-methylpropoxy)propyl]benzamide
CID 103940009
4-hydroxy-2-methyl-N-(3-piperidin-4-yloxypropyl)benzamide
CID 107672054
N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide
CID 107670534
5-[(4-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoic acid
CID 107670917
4-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]benzamide
CID 113338751
N-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide
CID 107673272
2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide
CID 79713860
N-(4-cyanobutyl)-4-hydroxy-2-methylbenzamide
CID 103865446
N-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide
CID 103863454
2-bromo-5-chloro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 78849698
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
2-amino-5-fluoro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 43363356

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]benzamide?
The IUPAC name of 4-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]benzamide (CID 103863566) is 4-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]benzamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]benzamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]benzamide is Cc1cc(O)ccc1C(=O)NCCCOCC(C)C.
What is the InChIKey of 4-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]benzamide?
The InChIKey is OHHNCKAFBCPHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)10-19-8-4-7-16-15(18)14-6-5-13(17)9-12(14)3/h5-6,9,11,17H,4,7-8,10H2,1-3H3,(H,16,18).
What are the key properties of 4-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]benzamide?
4-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]benzamide has a molecular weight of 265.35 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]benzamide is sourced from PubChem (CID 103863566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).