4-amino-3-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide

C17H20N2O2 — CID 107073896

IUPAC4-amino-3-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C17H20N2O2/c1-10(2)13-6-4-5-11(3)16(13)19-17(21)12-7-8-14(18)15(20)9-12/h4-10,20H,18H2,1-3H3,(H,19,21)
InChIKeyOKRSNLZVXNRACZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.66
Rot. Bonds3

About 4-amino-3-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide

4-amino-3-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide (PubChem CID 107073896) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-amino-3-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-3-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
PubChem CID107073896
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-amino-3-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C17H20N2O2/c1-10(2)13-6-4-5-11(3)16(13)19-17(21)12-7-8-14(18)15(20)9-12/h4-10,20H,18H2,1-3H3,(H,19,21)
InChIKeyOKRSNLZVXNRACZ-UHFFFAOYSA-N
XLogP3.66
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-3,4-dihydroxybenzamide
CID 113199333
4-amino-N-(2,6-diethylphenyl)-3-hydroxybenzamide
CID 107073824
4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 43333467
6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 18148418
2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide
CID 1312773
4-amino-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 65355014
4-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 2701404
4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide
CID 55103404
3-chloro-N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzamide
CID 840735
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
1-N-(2-methoxyethyl)-3-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109052582
4-(difluoromethoxy)-3-methoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 7919835

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-amino-3-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide (CID 107073896) is 4-amino-3-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-amino-3-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-amino-3-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide is Cc1cccc(C(C)C)c1NC(=O)c1ccc(N)c(O)c1.
What is the InChIKey of 4-amino-3-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
The InChIKey is OKRSNLZVXNRACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-10(2)13-6-4-5-11(3)16(13)19-17(21)12-7-8-14(18)15(20)9-12/h4-10,20H,18H2,1-3H3,(H,19,21).
What are the key properties of 4-amino-3-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
4-amino-3-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide has a molecular weight of 284.36 g/mol, XLogP of 3.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 107073896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).