N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide

C13H18N2O2 — CID 116651907

IUPACN-(2-amino-1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1cccc(O)c1)C(CN)C1CC1
InChIInChI=1S/C13H18N2O2/c1-15(12(8-14)9-5-6-9)13(17)10-3-2-4-11(16)7-10/h2-4,7,9,12,16H,5-6,8,14H2,1H3
InChIKeyQNWNVOLZZNCYBN-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.20
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide

N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide (PubChem CID 116651907) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide
PubChem CID116651907
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1cccc(O)c1)C(CN)C1CC1
InChIInChI=1S/C13H18N2O2/c1-15(12(8-14)9-5-6-9)13(17)10-3-2-4-11(16)7-10/h2-4,7,9,12,16H,5-6,8,14H2,1H3
InChIKeyQNWNVOLZZNCYBN-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
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-methylbenzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide (CID 116651907) is N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide is CN(C(=O)c1cccc(O)c1)C(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide?
The InChIKey is QNWNVOLZZNCYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(12(8-14)9-5-6-9)13(17)10-3-2-4-11(16)7-10/h2-4,7,9,12,16H,5-6,8,14H2,1H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide?
N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide has a molecular weight of 234.30 g/mol, XLogP of 1.20, 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-methylbenzamide is sourced from PubChem (CID 116651907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).