N-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride

C18H23ClN2O2 — CID 120568798

IUPACN-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)c1cccc(OCC(C)C)c1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-12(2)11-22-16-6-4-5-14(9-16)18(21)20-17-10-15(19)8-7-13(17)3;/h4-10,12H,11,19H2,1-3H3,(H,20,21);1H
InChIKeyKSKSOTLVRDVOTN-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.29
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride

N-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride (PubChem CID 120568798) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride
PubChem CID120568798
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)c1cccc(OCC(C)C)c1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-12(2)11-22-16-6-4-5-14(9-16)18(21)20-17-10-15(19)8-7-13(17)3;/h4-10,12H,11,19H2,1-3H3,(H,20,21);1H
InChIKeyKSKSOTLVRDVOTN-UHFFFAOYSA-N
XLogP4.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide
CID 7589542
N-(2-amino-5-methoxyphenyl)-3-(2-methylpropoxy)benzamide
CID 119421096
N-(2-chloro-4-iodophenyl)-3-(2-methylpropoxy)benzamide
CID 1323778
N-(6-methyl-2-phenylbenzotriazol-5-yl)-3-(2-methylpropoxy)benzamide
CID 17220342
N-tert-butyl-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17140330
N-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride
CID 119439604
3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride
CID 119751160
N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide
CID 959928
2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide
CID 17140344
3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 30854706
N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide
CID 16778250
3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079530

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride (CID 120568798) is N-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride is Cc1ccc(N)cc1NC(=O)c1cccc(OCC(C)C)c1.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride?
The InChIKey is KSKSOTLVRDVOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-12(2)11-22-16-6-4-5-14(9-16)18(21)20-17-10-15(19)8-7-13(17)3;/h4-10,12H,11,19H2,1-3H3,(H,20,21);1H.
What are the key properties of N-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride?
N-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride is sourced from PubChem (CID 120568798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).