4-amino-N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methylbenzamide

C16H18N2O3 — CID 22010568

IUPAC4-amino-N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)c2ccc(C)cc2O)ccc1N
InChIInChI=1S/C16H18N2O3/c1-10-4-7-13(14(19)8-10)18(2)16(20)11-5-6-12(17)15(9-11)21-3/h4-9,19H,17H2,1-3H3
InChIKeyBHIDKBCOCAPKAF-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.57
Rot. Bonds3

About 4-amino-N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methylbenzamide

4-amino-N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methylbenzamide (PubChem CID 22010568) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methylbenzamide
PubChem CID22010568
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-amino-N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)c2ccc(C)cc2O)ccc1N
InChIInChI=1S/C16H18N2O3/c1-10-4-7-13(14(19)8-10)18(2)16(20)11-5-6-12(17)15(9-11)21-3/h4-9,19H,17H2,1-3H3
InChIKeyBHIDKBCOCAPKAF-UHFFFAOYSA-N
XLogP2.57
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.57
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

4-[[2-[(4-amino-3-methoxybenzoyl)-methylamino]-5-methylphenoxy]methyl]benzoic acid
CID 23226388
N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide
CID 22011026
3-amino-N-(2,4-dimethylphenyl)-N,4-dimethylbenzamide
CID 62003677
methyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate
CID 104782621
ethyl 2-[3-[2-[(4-amino-3-methoxybenzoyl)-methylamino]phenoxy]propoxy]acetate
CID 70060005
4-amino-3-methoxy-N,N-dipropylbenzamide
CID 104782274
3-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzamide
CID 62001405
methyl 4-amino-3-methoxybenzoate
CID 602411
4-amino-3-methoxybenzoic acid;ethane
CID 91282219
4-amino-N-benzyl-3-methoxy-N-methylbenzamide
CID 104782312
3-hydroxy-4-methoxy-N-methyl-N-(3-methylphenyl)benzamide
CID 79726183
N-(2-amino-5-chlorophenyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 107465720

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methylbenzamide?
The IUPAC name of 4-amino-N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methylbenzamide (CID 22010568) is 4-amino-N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methylbenzamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methylbenzamide is COc1cc(C(=O)N(C)c2ccc(C)cc2O)ccc1N.
What is the InChIKey of 4-amino-N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methylbenzamide?
The InChIKey is BHIDKBCOCAPKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-4-7-13(14(19)8-10)18(2)16(20)11-5-6-12(17)15(9-11)21-3/h4-9,19H,17H2,1-3H3.
What are the key properties of 4-amino-N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methylbenzamide?
4-amino-N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methylbenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 22010568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).