2-amino-4-methoxy-N-(3-propan-2-ylphenyl)benzamide

C17H20N2O2 — CID 115412483

IUPAC2-amino-4-methoxy-N-(3-propan-2-ylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C(C)C)c2)c(N)c1
InChIInChI=1S/C17H20N2O2/c1-11(2)12-5-4-6-13(9-12)19-17(20)15-8-7-14(21-3)10-16(15)18/h4-11H,18H2,1-3H3,(H,19,20)
InChIKeyGZSFVZCKNYYYHA-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.65
Rot. Bonds4

About 2-amino-4-methoxy-N-(3-propan-2-ylphenyl)benzamide

2-amino-4-methoxy-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 115412483) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(3-propan-2-ylphenyl)benzamide
PubChem CID115412483
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-amino-4-methoxy-N-(3-propan-2-ylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C(C)C)c2)c(N)c1
InChIInChI=1S/C17H20N2O2/c1-11(2)12-5-4-6-13(9-12)19-17(20)15-8-7-14(21-3)10-16(15)18/h4-11H,18H2,1-3H3,(H,19,20)
InChIKeyGZSFVZCKNYYYHA-UHFFFAOYSA-N
XLogP3.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidophenyl)-2-amino-4-methoxybenzamide
CID 82546305
2-amino-N-(3-carbamoylphenyl)-4-methoxybenzamide
CID 115412996
3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide
CID 24636290
2-amino-4-methoxy-N-(2-propan-2-ylphenyl)benzamide
CID 80503097
2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide
CID 80504103
2-amino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 82547001
2-amino-4-methoxy-N-pyrimidin-5-ylbenzamide
CID 107588666
2-amino-N-(2,6-dichlorophenyl)-4-methoxybenzamide
CID 110451620
3-amino-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide
CID 61092976
4-amino-N-(3-methoxyphenyl)-2,3-dimethylbenzamide
CID 68975139
N-(3-methoxyphenyl)-4-propan-2-ylbenzamide
CID 897049

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-(3-propan-2-ylphenyl)benzamide?
The IUPAC name of 2-amino-4-methoxy-N-(3-propan-2-ylphenyl)benzamide (CID 115412483) is 2-amino-4-methoxy-N-(3-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(3-propan-2-ylphenyl)benzamide?
The canonical SMILES for 2-amino-4-methoxy-N-(3-propan-2-ylphenyl)benzamide is COc1ccc(C(=O)Nc2cccc(C(C)C)c2)c(N)c1.
What is the InChIKey of 2-amino-4-methoxy-N-(3-propan-2-ylphenyl)benzamide?
The InChIKey is GZSFVZCKNYYYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11(2)12-5-4-6-13(9-12)19-17(20)15-8-7-14(21-3)10-16(15)18/h4-11H,18H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-4-methoxy-N-(3-propan-2-ylphenyl)benzamide?
2-amino-4-methoxy-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 284.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 115412483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).