N-(5-amino-2-methylphenyl)-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride

C18H23ClN2O3 — CID 120568157

IUPACN-(5-amino-2-methylphenyl)-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)Nc2cc(N)ccc2C)ccc1OC(C)C.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-11(2)23-16-8-6-13(9-17(16)22-4)18(21)20-15-10-14(19)7-5-12(15)3;/h5-11H,19H2,1-4H3,(H,20,21);1H
InChIKeyCVIIANLZKQDVNB-UHFFFAOYSA-N
MW350.85 g/mol
LogP4.05
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride

N-(5-amino-2-methylphenyl)-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride (PubChem CID 120568157) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride
PubChem CID120568157
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC NameN-(5-amino-2-methylphenyl)-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)Nc2cc(N)ccc2C)ccc1OC(C)C.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-11(2)23-16-8-6-13(9-17(16)22-4)18(21)20-15-10-14(19)7-5-12(15)3;/h5-11H,19H2,1-4H3,(H,20,21);1H
InChIKeyCVIIANLZKQDVNB-UHFFFAOYSA-N
XLogP4.05
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881
3-methoxy-N-(4-methyl-3-sulfamoylphenyl)-4-propan-2-yloxybenzamide
CID 46520822
N-cyclohexyl-4-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-methylbenzamide
CID 55992962
N-(5-amino-2-methylphenyl)-3,4-dipropoxybenzamide
CID 120569287
N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide
CID 16778250
3-methoxy-N-naphthalen-1-yl-4-propan-2-yloxybenzamide
CID 112762780
4,5-dimethoxy-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-N,N-dimethylbenzamide
CID 46404987
N-(2,5-dimethylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide
CID 112759226
N-(4-amino-2-bromophenyl)-3,4-dimethoxybenzamide
CID 43549544
3-bromo-N-(2,5-dimethylphenyl)-4-propan-2-yloxybenzamide
CID 17355192
3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide
CID 46674292
N-(5-amino-2-methylphenyl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 120569275

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride (CID 120568157) is N-(5-amino-2-methylphenyl)-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride is COc1cc(C(=O)Nc2cc(N)ccc2C)ccc1OC(C)C.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride?
The InChIKey is CVIIANLZKQDVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.ClH/c1-11(2)23-16-8-6-13(9-17(16)22-4)18(21)20-15-10-14(19)7-5-12(15)3;/h5-11H,19H2,1-4H3,(H,20,21);1H.
What are the key properties of N-(5-amino-2-methylphenyl)-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride?
N-(5-amino-2-methylphenyl)-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride is sourced from PubChem (CID 120568157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).