N-(2-amino-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide

C13H18N2O2 — CID 55242936

IUPACN-(2-amino-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NCC(N)C2CC2)c1
InChIInChI=1S/C13H18N2O2/c1-8-2-5-12(16)10(6-8)13(17)15-7-11(14)9-3-4-9/h2,5-6,9,11,16H,3-4,7,14H2,1H3,(H,15,17)
InChIKeyUABPXGMIJHARHW-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.17
Rot. Bonds4

About N-(2-amino-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide

N-(2-amino-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide (PubChem CID 55242936) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide
PubChem CID55242936
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(2-amino-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NCC(N)C2CC2)c1
InChIInChI=1S/C13H18N2O2/c1-8-2-5-12(16)10(6-8)13(17)15-7-11(14)9-3-4-9/h2,5-6,9,11,16H,3-4,7,14H2,1H3,(H,15,17)
InChIKeyUABPXGMIJHARHW-UHFFFAOYSA-N
XLogP1.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide
CID 114315762
N-(2-amino-2-cyclopropylethyl)-3-methylbenzamide
CID 63765168
N-(2-amino-2-cyclopropylethyl)-4-bromo-2-methylbenzamide
CID 113282155
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide
CID 106124287
N-(3-bromo-2-methylpropyl)-2-hydroxy-5-methylbenzamide
CID 114313317
N-(2,2-dicyclopropylethyl)-2,5-dihydroxybenzamide
CID 107723246
N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methylbenzamide
CID 43420144
N-(2-chloro-4-methylpentyl)-2-hydroxy-5-methylbenzamide
CID 107157185
N-(2-amino-2-cyclopropylethyl)-2,4-dibromobenzamide
CID 107940139
N-(2-amino-2-cyclopropylethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103872684
5-chloro-N-(2-cyclopropylpropyl)-2-hydroxybenzamide
CID 115591206
N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzamide
CID 113282173

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide (CID 55242936) is N-(2-amino-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide is Cc1ccc(O)c(C(=O)NCC(N)C2CC2)c1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide?
The InChIKey is UABPXGMIJHARHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8-2-5-12(16)10(6-8)13(17)15-7-11(14)9-3-4-9/h2,5-6,9,11,16H,3-4,7,14H2,1H3,(H,15,17).
What are the key properties of N-(2-amino-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide?
N-(2-amino-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide has a molecular weight of 234.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 55242936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).