2-amino-N-[3-methyl-4-(oxan-4-yloxy)phenyl]benzamide;hydrochloride

C19H23ClN2O3 — CID 119945575

IUPAC2-amino-N-[3-methyl-4-(oxan-4-yloxy)phenyl]benzamide;hydrochloride
SMILESCc1cc(NC(=O)c2ccccc2N)ccc1OC1CCOCC1.Cl
InChIInChI=1S/C19H22N2O3.ClH/c1-13-12-14(21-19(22)16-4-2-3-5-17(16)20)6-7-18(13)24-15-8-10-23-11-9-15;/h2-7,12,15H,8-11,20H2,1H3,(H,21,22);1H
InChIKeyPSGDSSMVMMRSBC-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.81
Rot. Bonds4

About 2-amino-N-[3-methyl-4-(oxan-4-yloxy)phenyl]benzamide;hydrochloride

2-amino-N-[3-methyl-4-(oxan-4-yloxy)phenyl]benzamide;hydrochloride (PubChem CID 119945575) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-amino-N-[3-methyl-4-(oxan-4-yloxy)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-methyl-4-(oxan-4-yloxy)phenyl]benzamide;hydrochloride
PubChem CID119945575
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name2-amino-N-[3-methyl-4-(oxan-4-yloxy)phenyl]benzamide;hydrochloride
SMILESCc1cc(NC(=O)c2ccccc2N)ccc1OC1CCOCC1.Cl
InChIInChI=1S/C19H22N2O3.ClH/c1-13-12-14(21-19(22)16-4-2-3-5-17(16)20)6-7-18(13)24-15-8-10-23-11-9-15;/h2-7,12,15H,8-11,20H2,1H3,(H,21,22);1H
InChIKeyPSGDSSMVMMRSBC-UHFFFAOYSA-N
XLogP3.81
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.81
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

N-[3-methyl-4-(oxan-4-yloxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119328337
N-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119792152
2-[2-(2,3-dimethylphenyl)hydrazinyl]-N-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-oxoacetamide
CID 167795062
2-amino-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]benzamide;hydrochloride
CID 119945563
2-methyl-4-[[4-(oxan-4-yloxy)benzoyl]amino]benzoic acid
CID 119240450
N-[3-methyl-4-(oxan-4-yloxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119328324
2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]benzamide;hydrochloride
CID 119945361
2-amino-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide
CID 119945597
2-amino-6-(oxan-4-yloxy)benzoic acid
CID 107341552
2-hydrazinyl-N-(4-methoxy-3-methylphenyl)benzamide
CID 62236085
2-amino-N-(4-methoxy-3-methylphenyl)-5-methylbenzamide
CID 62510394
methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate
CID 19428226

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-methyl-4-(oxan-4-yloxy)phenyl]benzamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-methyl-4-(oxan-4-yloxy)phenyl]benzamide;hydrochloride (CID 119945575) is 2-amino-N-[3-methyl-4-(oxan-4-yloxy)phenyl]benzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-methyl-4-(oxan-4-yloxy)phenyl]benzamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-methyl-4-(oxan-4-yloxy)phenyl]benzamide;hydrochloride is Cc1cc(NC(=O)c2ccccc2N)ccc1OC1CCOCC1.Cl.
What is the InChIKey of 2-amino-N-[3-methyl-4-(oxan-4-yloxy)phenyl]benzamide;hydrochloride?
The InChIKey is PSGDSSMVMMRSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3.ClH/c1-13-12-14(21-19(22)16-4-2-3-5-17(16)20)6-7-18(13)24-15-8-10-23-11-9-15;/h2-7,12,15H,8-11,20H2,1H3,(H,21,22);1H.
What are the key properties of 2-amino-N-[3-methyl-4-(oxan-4-yloxy)phenyl]benzamide;hydrochloride?
2-amino-N-[3-methyl-4-(oxan-4-yloxy)phenyl]benzamide;hydrochloride has a molecular weight of 362.86 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-methyl-4-(oxan-4-yloxy)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 119945575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).