N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N,2-dimethylbenzamide

C14H20N2O2 — CID 116652032

IUPACN-(2-amino-1-cyclopropylethyl)-3-hydroxy-N,2-dimethylbenzamide
SMILESCc1c(O)cccc1C(=O)N(C)C(CN)C1CC1
InChIInChI=1S/C14H20N2O2/c1-9-11(4-3-5-13(9)17)14(18)16(2)12(8-15)10-6-7-10/h3-5,10,12,17H,6-8,15H2,1-2H3
InChIKeyXKWGNCUTVKMCAQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.51
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N,2-dimethylbenzamide

N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N,2-dimethylbenzamide (PubChem CID 116652032) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-hydroxy-N,2-dimethylbenzamide
PubChem CID116652032
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-hydroxy-N,2-dimethylbenzamide
SMILESCc1c(O)cccc1C(=O)N(C)C(CN)C1CC1
InChIInChI=1S/C14H20N2O2/c1-9-11(4-3-5-13(9)17)14(18)16(2)12(8-15)10-6-7-10/h3-5,10,12,17H,6-8,15H2,1-2H3
InChIKeyXKWGNCUTVKMCAQ-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N,2-dimethylbenzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N,2-dimethylbenzamide (CID 116652032) is N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N,2-dimethylbenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N,2-dimethylbenzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N,2-dimethylbenzamide is Cc1c(O)cccc1C(=O)N(C)C(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N,2-dimethylbenzamide?
The InChIKey is XKWGNCUTVKMCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-11(4-3-5-13(9)17)14(18)16(2)12(8-15)10-6-7-10/h3-5,10,12,17H,6-8,15H2,1-2H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N,2-dimethylbenzamide?
N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N,2-dimethylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N,2-dimethylbenzamide is sourced from PubChem (CID 116652032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).