3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide

C13H20N2O2 — CID 62664549

IUPAC3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC(C)C)cc1O
InChIInChI=1S/C13H20N2O2/c1-9(2)14-6-7-15-13(17)11-5-4-10(3)12(16)8-11/h4-5,8-9,14,16H,6-7H2,1-3H3,(H,15,17)
InChIKeyPXACJKPMEYAFAQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.43
Rot. Bonds5

About 3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide

3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 62664549) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
PubChem CID62664549
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC(C)C)cc1O
InChIInChI=1S/C13H20N2O2/c1-9(2)14-6-7-15-13(17)11-5-4-10(3)12(16)8-11/h4-5,8-9,14,16H,6-7H2,1-3H3,(H,15,17)
InChIKeyPXACJKPMEYAFAQ-UHFFFAOYSA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 81476107
3-hydroxy-N-(2-hydroxyethyl)-4-methylbenzamide
CID 43416195
3-hydroxy-N-(2-hydroxy-3-methylbutyl)-4-methylbenzamide
CID 110014999
4-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657874
N-(2-cyclopentylethyl)-3-hydroxy-4-methylbenzamide
CID 54932367
3-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide
CID 61017535
N-(4-bromo-2-methylbutyl)-3-hydroxy-4-methylbenzamide
CID 114316818
2,6-dihydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 107690240
3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 79030846
N-but-2-ynyl-3-hydroxy-4-methylbenzamide
CID 115993868
3-hydroxy-N-(2-hydroxy-3,3-dimethylbutyl)-4-methylbenzamide
CID 110016294
3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide
CID 61132238

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide (CID 62664549) is 3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide is Cc1ccc(C(=O)NCCNC(C)C)cc1O.
What is the InChIKey of 3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is PXACJKPMEYAFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)14-6-7-15-13(17)11-5-4-10(3)12(16)8-11/h4-5,8-9,14,16H,6-7H2,1-3H3,(H,15,17).
What are the key properties of 3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide?
3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 236.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 62664549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).