N-(1-amino-2,4-dimethylpentan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride

C17H28Cl2N2O3 — CID 119597907

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
SMILESCCOc1c(Cl)cc(C(=O)NC(C)(CN)CC(C)C)cc1OC.Cl
InChIInChI=1S/C17H27ClN2O3.ClH/c1-6-23-15-13(18)7-12(8-14(15)22-5)16(21)20-17(4,10-19)9-11(2)3;/h7-8,11H,6,9-10,19H2,1-5H3,(H,20,21);1H
InChIKeyRSGIOOFBBBRFKM-UHFFFAOYSA-N
MW379.33 g/mol
LogP3.66
Rot. Bonds8

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride (PubChem CID 119597907) has the molecular formula C17H28Cl2N2O3 and a molecular weight of 379.33 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
PubChem CID119597907
Molecular FormulaC17H28Cl2N2O3
Molecular Weight379.33 g/mol
Exact Mass378.15
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
SMILESCCOc1c(Cl)cc(C(=O)NC(C)(CN)CC(C)C)cc1OC.Cl
InChIInChI=1S/C17H27ClN2O3.ClH/c1-6-23-15-13(18)7-12(8-14(15)22-5)16(21)20-17(4,10-19)9-11(2)3;/h7-8,11H,6,9-10,19H2,1-5H3,(H,20,21);1H
InChIKeyRSGIOOFBBBRFKM-UHFFFAOYSA-N
XLogP3.66
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119521982
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119572875
N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide
CID 51149799
N-[(2S)-1-amino-3-methoxy-2-methyl-1-oxopropan-2-yl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 95330977
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
N-(1-amino-2-cyclopropylpropan-2-yl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride
CID 119575203
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 26457001
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 119600077
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride
CID 119598009
N-(1-amino-2,4-dimethylpentan-2-yl)-4-propan-2-ylbenzamide;hydrochloride
CID 119600058
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-difluorobenzamide;hydrochloride
CID 119597433
3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709358

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride (CID 119597907) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride is CCOc1c(Cl)cc(C(=O)NC(C)(CN)CC(C)C)cc1OC.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride?
The InChIKey is RSGIOOFBBBRFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O3.ClH/c1-6-23-15-13(18)7-12(8-14(15)22-5)16(21)20-17(4,10-19)9-11(2)3;/h7-8,11H,6,9-10,19H2,1-5H3,(H,20,21);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride has a molecular weight of 379.33 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119597907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).