5-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]-2-methylbenzamide;hydrochloride

C18H23ClN2O3 — CID 120622397

IUPAC5-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]-2-methylbenzamide;hydrochloride
SMILESCOCCOc1ccc(NC(=O)c2cc(N)ccc2C)c(C)c1.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-12-4-5-14(19)11-16(12)18(21)20-17-7-6-15(10-13(17)2)23-9-8-22-3;/h4-7,10-11H,8-9,19H2,1-3H3,(H,20,21);1H
InChIKeyVRPWVMAOMILFTR-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.58
Rot. Bonds6

About 5-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]-2-methylbenzamide;hydrochloride

5-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]-2-methylbenzamide;hydrochloride (PubChem CID 120622397) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 5-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]-2-methylbenzamide;hydrochloride
PubChem CID120622397
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name5-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]-2-methylbenzamide;hydrochloride
SMILESCOCCOc1ccc(NC(=O)c2cc(N)ccc2C)c(C)c1.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-12-4-5-14(19)11-16(12)18(21)20-17-7-6-15(10-13(17)2)23-9-8-22-3;/h4-7,10-11H,8-9,19H2,1-3H3,(H,20,21);1H
InChIKeyVRPWVMAOMILFTR-UHFFFAOYSA-N
XLogP3.58
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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5-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]benzamide;hydrochloride
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N-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide
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(4-amino-2-chlorophenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]methanone
CID 67314649
N-[4-(2-methoxyethoxy)-2-methylphenyl]piperidine-4-carboxamide;hydrochloride
CID 119289436
5-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide;hydrochloride
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5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid
CID 63115622
5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide
CID 61290409

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]-2-methylbenzamide;hydrochloride (CID 120622397) is 5-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]-2-methylbenzamide;hydrochloride is COCCOc1ccc(NC(=O)c2cc(N)ccc2C)c(C)c1.Cl.
What is the InChIKey of 5-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]-2-methylbenzamide;hydrochloride?
The InChIKey is VRPWVMAOMILFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.ClH/c1-12-4-5-14(19)11-16(12)18(21)20-17-7-6-15(10-13(17)2)23-9-8-22-3;/h4-7,10-11H,8-9,19H2,1-3H3,(H,20,21);1H.
What are the key properties of 5-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]-2-methylbenzamide;hydrochloride?
5-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]-2-methylbenzamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120622397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).