N-(3-cyclopropylpropyl)-4-hydroxy-3-methylbenzamide

C14H19NO2 — CID 103957172

IUPACN-(3-cyclopropylpropyl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NCCCC2CC2)ccc1O
InChIInChI=1S/C14H19NO2/c1-10-9-12(6-7-13(10)16)14(17)15-8-2-3-11-4-5-11/h6-7,9,11,16H,2-5,8H2,1H3,(H,15,17)
InChIKeyXRPWMJDUUSCVAI-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.62
Rot. Bonds5

About N-(3-cyclopropylpropyl)-4-hydroxy-3-methylbenzamide

N-(3-cyclopropylpropyl)-4-hydroxy-3-methylbenzamide (PubChem CID 103957172) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(3-cyclopropylpropyl)-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-cyclopropylpropyl)-4-hydroxy-3-methylbenzamide
PubChem CID103957172
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(3-cyclopropylpropyl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NCCCC2CC2)ccc1O
InChIInChI=1S/C14H19NO2/c1-10-9-12(6-7-13(10)16)14(17)15-8-2-3-11-4-5-11/h6-7,9,11,16H,2-5,8H2,1H3,(H,15,17)
InChIKeyXRPWMJDUUSCVAI-UHFFFAOYSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-methyl-N-(4-propylcyclohexyl)benzamide
CID 107676630
4-hydroxy-3-methyl-N-[(4-methylcyclohexyl)methyl]benzamide
CID 103956686
N-(2-cyclopentylethyl)-3-hydroxy-4-methylbenzamide
CID 54932367
4-hydroxy-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 103956294
4-hydroxy-3-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107671970
N-(5-chloro-4-methylpentyl)-4-hydroxy-3-methylbenzamide
CID 106156836
4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide
CID 103956091
N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide
CID 38335556
N-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
CID 104628967
4-hydroxy-3-methyl-N-pent-3-ynylbenzamide
CID 104581098
N-(2-cyclopentylethyl)-4-fluoro-3-methylbenzamide
CID 63212188
N-[(1-ethylpiperidin-4-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103956695

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylpropyl)-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-(3-cyclopropylpropyl)-4-hydroxy-3-methylbenzamide (CID 103957172) is N-(3-cyclopropylpropyl)-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(3-cyclopropylpropyl)-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(3-cyclopropylpropyl)-4-hydroxy-3-methylbenzamide is Cc1cc(C(=O)NCCCC2CC2)ccc1O.
What is the InChIKey of N-(3-cyclopropylpropyl)-4-hydroxy-3-methylbenzamide?
The InChIKey is XRPWMJDUUSCVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-9-12(6-7-13(10)16)14(17)15-8-2-3-11-4-5-11/h6-7,9,11,16H,2-5,8H2,1H3,(H,15,17).
What are the key properties of N-(3-cyclopropylpropyl)-4-hydroxy-3-methylbenzamide?
N-(3-cyclopropylpropyl)-4-hydroxy-3-methylbenzamide has a molecular weight of 233.31 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylpropyl)-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 103957172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).