N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzamide;hydrochloride

C14H21ClN2O3 — CID 119614737

IUPACN-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzamide;hydrochloride
SMILESCOc1ccc(C(=O)NC(CN)C2CC2)c(OC)c1.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-18-10-5-6-11(13(7-10)19-2)14(17)16-12(8-15)9-3-4-9;/h5-7,9,12H,3-4,8,15H2,1-2H3,(H,16,17);1H
InChIKeyCONKIAFRSMCMKF-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.59
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzamide;hydrochloride (PubChem CID 119614737) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzamide;hydrochloride
PubChem CID119614737
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzamide;hydrochloride
SMILESCOc1ccc(C(=O)NC(CN)C2CC2)c(OC)c1.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-18-10-5-6-11(13(7-10)19-2)14(17)16-12(8-15)9-3-4-9;/h5-7,9,12H,3-4,8,15H2,1-2H3,(H,16,17);1H
InChIKeyCONKIAFRSMCMKF-UHFFFAOYSA-N
XLogP1.59
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-chloro-2-methoxybenzamide;hydrochloride
CID 119617277
N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide
CID 65188794
N-(2-amino-1-cyclopropylethyl)-2-methoxy-4-nitrobenzamide
CID 104783824
N-(2-amino-1-cyclopentylethyl)-4-chloro-2-methoxybenzamide
CID 106737554
N-(2-amino-1-cyclopropylethyl)-5-chloro-4-iodo-2-methoxybenzamide;hydrochloride
CID 119615563
N-(1-aminobutan-2-yl)-2,4-dimethoxybenzamide
CID 63755359
N-(2-amino-1-cyclopropylethyl)-2-[(4-methoxybenzoyl)amino]benzamide;hydrochloride
CID 119617488
N-(2-amino-1-cyclopropylethyl)-4-methoxythiophene-2-carboxamide;hydrochloride
CID 119615925
N-(2-amino-1-cyclopropylethyl)-2-ethoxybenzamide;hydrochloride
CID 119616625
N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride
CID 119591989
N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methoxybenzamide;hydrochloride
CID 119615087
N-(2-amino-1-cyclohexylethyl)-2,3-dimethoxybenzamide;hydrochloride
CID 119591832

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzamide;hydrochloride (CID 119614737) is N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzamide;hydrochloride is COc1ccc(C(=O)NC(CN)C2CC2)c(OC)c1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzamide;hydrochloride?
The InChIKey is CONKIAFRSMCMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3.ClH/c1-18-10-5-6-11(13(7-10)19-2)14(17)16-12(8-15)9-3-4-9;/h5-7,9,12H,3-4,8,15H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzamide;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzamide;hydrochloride is sourced from PubChem (CID 119614737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).