4-hydroxy-3-methyl-N-(2-methylpropoxy)benzamide

C12H17NO3 — CID 103956177

IUPAC4-hydroxy-3-methyl-N-(2-methylpropoxy)benzamide
SMILESCc1cc(C(=O)NOCC(C)C)ccc1O
InChIInChI=1S/C12H17NO3/c1-8(2)7-16-13-12(15)10-4-5-11(14)9(3)6-10/h4-6,8,14H,7H2,1-3H3,(H,13,15)
InChIKeyZBGOLCJWJXUSQU-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.02
Rot. Bonds4

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

4-hydroxy-3-methyl-N-(2-methylpropoxy)benzamide (PubChem CID 103956177) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-N-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name4-hydroxy-3-methyl-N-(2-methylpropoxy)benzamide
PubChem CID103956177
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-hydroxy-3-methyl-N-(2-methylpropoxy)benzamide
SMILESCc1cc(C(=O)NOCC(C)C)ccc1O
InChIInChI=1S/C12H17NO3/c1-8(2)7-16-13-12(15)10-4-5-11(14)9(3)6-10/h4-6,8,14H,7H2,1-3H3,(H,13,15)
InChIKeyZBGOLCJWJXUSQU-UHFFFAOYSA-N
XLogP2.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethoxy)-4-hydroxy-3-methylbenzamide
CID 103958323
3,4-dichloro-N-(2-methylpropoxy)benzamide
CID 115409805
4-bromo-N-(2-methylpropoxy)benzamide
CID 115410038
N-(2-methylpropoxy)quinoxaline-6-carboxamide
CID 113304462
N-(2-methylpropoxy)-2,3-dihydro-1H-indene-5-carboxamide
CID 115409893
4-(aminomethyl)-N-(2-methylpropoxy)benzamide
CID 82721691
4-fluoro-2-methyl-N-(2-methylpropoxy)benzamide
CID 112703509
N-(4-aminopentan-2-yl)-4-hydroxy-3-methylbenzamide
CID 107673367
3,5-dibromo-N-(2-methylpropoxy)benzamide
CID 103908515
N-(2-bromopropyl)-4-hydroxy-3-methylbenzamide
CID 107673076
2-hydroxy-5-methoxy-N-(2-methylpropoxy)benzamide
CID 115410347
4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 103957663

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-N-(2-methylpropoxy)benzamide?
The IUPAC name of 4-hydroxy-3-methyl-N-(2-methylpropoxy)benzamide (CID 103956177) is 4-hydroxy-3-methyl-N-(2-methylpropoxy)benzamide.
What is the SMILES notation for 4-hydroxy-3-methyl-N-(2-methylpropoxy)benzamide?
The canonical SMILES for 4-hydroxy-3-methyl-N-(2-methylpropoxy)benzamide is Cc1cc(C(=O)NOCC(C)C)ccc1O.
What is the InChIKey of 4-hydroxy-3-methyl-N-(2-methylpropoxy)benzamide?
The InChIKey is ZBGOLCJWJXUSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(2)7-16-13-12(15)10-4-5-11(14)9(3)6-10/h4-6,8,14H,7H2,1-3H3,(H,13,15).
What are the key properties of 4-hydroxy-3-methyl-N-(2-methylpropoxy)benzamide?
4-hydroxy-3-methyl-N-(2-methylpropoxy)benzamide has a molecular weight of 223.27 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-N-(2-methylpropoxy)benzamide is sourced from PubChem (CID 103956177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).