N-(2-aminoethyl)-N-cyclopentyl-4-hydroxy-2-methylbenzamide

C15H22N2O2 — CID 107670547

IUPACN-(2-aminoethyl)-N-cyclopentyl-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)N(CCN)C1CCCC1
InChIInChI=1S/C15H22N2O2/c1-11-10-13(18)6-7-14(11)15(19)17(9-8-16)12-4-2-3-5-12/h6-7,10,12,18H,2-5,8-9,16H2,1H3
InChIKeyWLFZGNDGGHTHHT-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.04
Rot. Bonds4

About N-(2-aminoethyl)-N-cyclopentyl-4-hydroxy-2-methylbenzamide

N-(2-aminoethyl)-N-cyclopentyl-4-hydroxy-2-methylbenzamide (PubChem CID 107670547) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclopentyl-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclopentyl-4-hydroxy-2-methylbenzamide
PubChem CID107670547
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(2-aminoethyl)-N-cyclopentyl-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)N(CCN)C1CCCC1
InChIInChI=1S/C15H22N2O2/c1-11-10-13(18)6-7-14(11)15(19)17(9-8-16)12-4-2-3-5-12/h6-7,10,12,18H,2-5,8-9,16H2,1H3
InChIKeyWLFZGNDGGHTHHT-UHFFFAOYSA-N
XLogP2.04
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide
CID 107671574
N-cyclobutyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide
CID 102685018
N-cyclopentyl-N-ethyl-4-hydroxy-2-methylbenzamide
CID 113341129
N-(2-aminoethyl)-N-cyclopentyl-3-fluoro-4-methylbenzamide
CID 63755708
N-(4-aminocyclohexyl)-N-ethyl-4-hydroxy-2-methylbenzamide
CID 107672163
N-(3-aminopropyl)-N-cyclopentyl-2-methylbenzamide
CID 43319365
N-(2-aminoethyl)-N-cyclobutyl-3-hydroxy-2-methylbenzamide
CID 102874159
N-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide
CID 102872612
N-cyclopentyl-2,4-dihydroxy-N-(2-hydroxyethyl)benzamide
CID 54994498
N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide
CID 102873748
N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide
CID 63755882
N-(3-aminopropyl)-4-hydroxy-N,2-dimethylbenzamide
CID 107670497

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-4-hydroxy-2-methylbenzamide (CID 107670547) is N-(2-aminoethyl)-N-cyclopentyl-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclopentyl-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclopentyl-4-hydroxy-2-methylbenzamide is Cc1cc(O)ccc1C(=O)N(CCN)C1CCCC1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclopentyl-4-hydroxy-2-methylbenzamide?
The InChIKey is WLFZGNDGGHTHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-10-13(18)6-7-14(11)15(19)17(9-8-16)12-4-2-3-5-12/h6-7,10,12,18H,2-5,8-9,16H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-cyclopentyl-4-hydroxy-2-methylbenzamide?
N-(2-aminoethyl)-N-cyclopentyl-4-hydroxy-2-methylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 2.04, 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-cyclopentyl-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 107670547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).