N-(2-aminoethyl)-N-cyclopropyl-2-hydroxy-5-methylbenzamide

C13H18N2O2 — CID 61350342

IUPACN-(2-aminoethyl)-N-cyclopropyl-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)N(CCN)C2CC2)c1
InChIInChI=1S/C13H18N2O2/c1-9-2-5-12(16)11(8-9)13(17)15(7-6-14)10-3-4-10/h2,5,8,10,16H,3-4,6-7,14H2,1H3
InChIKeyWPAURROLTAXLOP-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.26
Rot. Bonds4

About N-(2-aminoethyl)-N-cyclopropyl-2-hydroxy-5-methylbenzamide

N-(2-aminoethyl)-N-cyclopropyl-2-hydroxy-5-methylbenzamide (PubChem CID 61350342) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclopropyl-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclopropyl-2-hydroxy-5-methylbenzamide
PubChem CID61350342
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(2-aminoethyl)-N-cyclopropyl-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)N(CCN)C2CC2)c1
InChIInChI=1S/C13H18N2O2/c1-9-2-5-12(16)11(8-9)13(17)15(7-6-14)10-3-4-10/h2,5,8,10,16H,3-4,6-7,14H2,1H3
InChIKeyWPAURROLTAXLOP-UHFFFAOYSA-N
XLogP1.26
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-2-hydroxy-5-methyl-N-propylbenzamide
CID 79116898
N-(2-aminoethyl)-N-cyclobutyl-3-hydroxy-2-methylbenzamide
CID 102874159
N-(2-bromoethyl)-N-cyclopropyl-2-fluoro-4-methylbenzamide
CID 80665330
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-fluoro-5-methylbenzamide
CID 76945662
5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide
CID 55187434
N-(2-aminoethyl)-N-cyclopentyl-4-hydroxy-2-methylbenzamide
CID 107670547
N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide
CID 62515468
2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide
CID 81005817
N-butyl-N-cyclopropyl-2,5-dihydroxybenzamide
CID 103891986
N-cyclopropyl-5-fluoro-2-hydroxy-N-propylbenzamide
CID 115298911
N-(2-aminoethyl)-N-benzyl-2-hydroxy-5-methylbenzamide
CID 61014053
N-(3-aminopropyl)-N-cyclopentyl-2-methoxy-5-methylbenzamide
CID 62504725

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclopropyl-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclopropyl-2-hydroxy-5-methylbenzamide (CID 61350342) is N-(2-aminoethyl)-N-cyclopropyl-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclopropyl-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclopropyl-2-hydroxy-5-methylbenzamide is Cc1ccc(O)c(C(=O)N(CCN)C2CC2)c1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclopropyl-2-hydroxy-5-methylbenzamide?
The InChIKey is WPAURROLTAXLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-2-5-12(16)11(8-9)13(17)15(7-6-14)10-3-4-10/h2,5,8,10,16H,3-4,6-7,14H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-cyclopropyl-2-hydroxy-5-methylbenzamide?
N-(2-aminoethyl)-N-cyclopropyl-2-hydroxy-5-methylbenzamide has a molecular weight of 234.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclopropyl-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 61350342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).