N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide

C13H18N2O2 — CID 65188794

IUPACN-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(CN)C1CC1
InChIInChI=1S/C13H18N2O2/c1-17-12-5-3-2-4-10(12)13(16)15-11(8-14)9-6-7-9/h2-5,9,11H,6-8,14H2,1H3,(H,15,16)
InChIKeyKCEHVUIGRMOENE-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.16
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide

N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide (PubChem CID 65188794) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide
PubChem CID65188794
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(CN)C1CC1
InChIInChI=1S/C13H18N2O2/c1-17-12-5-3-2-4-10(12)13(16)15-11(8-14)9-6-7-9/h2-5,9,11H,6-8,14H2,1H3,(H,15,16)
InChIKeyKCEHVUIGRMOENE-UHFFFAOYSA-N
XLogP1.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-ethoxybenzamide;hydrochloride
CID 119616625
N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzamide;hydrochloride
CID 119614737
N-(2-amino-1-cyclohexylethyl)-2,3-dimethoxybenzamide;hydrochloride
CID 119591832
N-(2-amino-1-cyclopropylethyl)-4-chloro-2-methoxybenzamide;hydrochloride
CID 119617277
N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374
N-(2-amino-1-cyclopropylethyl)-2-[(2-methylphenyl)methoxy]benzamide;hydrochloride
CID 119616996
N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide
CID 65188796
N-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride
CID 119614072
N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methoxy]benzamide
CID 119616898
N-(2-amino-1-cyclopropylethyl)-2-methoxy-4-nitrobenzamide
CID 104783824
N-(2-amino-1-cyclopropylethyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 119612699
N-(2-amino-1-cyclopropylethyl)naphthalene-1-carboxamide
CID 65188485

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide (CID 65188794) is N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide is COc1ccccc1C(=O)NC(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide?
The InChIKey is KCEHVUIGRMOENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-12-5-3-2-4-10(12)13(16)15-11(8-14)9-6-7-9/h2-5,9,11H,6-8,14H2,1H3,(H,15,16).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide?
N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide has a molecular weight of 234.30 g/mol, XLogP of 1.16, 5 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)-2-methoxybenzamide is sourced from PubChem (CID 65188794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).