N-(2-aminoethyl)-N-cyclobutyl-3-hydroxy-2-methylbenzamide

C14H20N2O2 — CID 102874159

IUPACN-(2-aminoethyl)-N-cyclobutyl-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)N(CCN)C1CCC1
InChIInChI=1S/C14H20N2O2/c1-10-12(6-3-7-13(10)17)14(18)16(9-8-15)11-4-2-5-11/h3,6-7,11,17H,2,4-5,8-9,15H2,1H3
InChIKeyKWLZYPDRVKCJKF-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.65
Rot. Bonds4

About N-(2-aminoethyl)-N-cyclobutyl-3-hydroxy-2-methylbenzamide

N-(2-aminoethyl)-N-cyclobutyl-3-hydroxy-2-methylbenzamide (PubChem CID 102874159) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclobutyl-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclobutyl-3-hydroxy-2-methylbenzamide
PubChem CID102874159
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(2-aminoethyl)-N-cyclobutyl-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)N(CCN)C1CCC1
InChIInChI=1S/C14H20N2O2/c1-10-12(6-3-7-13(10)17)14(18)16(9-8-15)11-4-2-5-11/h3,6-7,11,17H,2,4-5,8-9,15H2,1H3
InChIKeyKWLZYPDRVKCJKF-UHFFFAOYSA-N
XLogP1.65
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-cyclobutyl-2-methylbenzamide
CID 102873748
N-(2-aminoethyl)-N-cyclopentyl-4-hydroxy-2-methylbenzamide
CID 107670547
3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 61115530
N-(2-aminoethyl)-N-cyclobutylquinoline-5-carboxamide
CID 102874207
N-(3-aminopropyl)-N-cyclopentyl-2-methylbenzamide
CID 43319365
N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide
CID 63391726
N-(2-aminoethyl)-N-cyclopropyl-2-hydroxy-5-methylbenzamide
CID 61350342
N-(2-aminoethyl)-N-cyclopentyl-3-methylbenzamide
CID 55241758
N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829035
N-(2-aminoethyl)-N-cyclobutyl-1-hydroxynaphthalene-2-carboxamide
CID 102874121
N-(2-aminoethyl)-N-cyclopropylquinoxaline-5-carboxamide
CID 104613988
3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide
CID 107097897

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclobutyl-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclobutyl-3-hydroxy-2-methylbenzamide (CID 102874159) is N-(2-aminoethyl)-N-cyclobutyl-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclobutyl-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclobutyl-3-hydroxy-2-methylbenzamide is Cc1c(O)cccc1C(=O)N(CCN)C1CCC1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclobutyl-3-hydroxy-2-methylbenzamide?
The InChIKey is KWLZYPDRVKCJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-12(6-3-7-13(10)17)14(18)16(9-8-15)11-4-2-5-11/h3,6-7,11,17H,2,4-5,8-9,15H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-cyclobutyl-3-hydroxy-2-methylbenzamide?
N-(2-aminoethyl)-N-cyclobutyl-3-hydroxy-2-methylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 1.65, 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-cyclobutyl-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 102874159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).