2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide

C17H20N2O3 — CID 43825333

IUPAC2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide
SMILESCOc1cc(N)c(C(=O)Nc2cc(C)cc(C)c2)cc1OC
InChIInChI=1S/C17H20N2O3/c1-10-5-11(2)7-12(6-10)19-17(20)13-8-15(21-3)16(22-4)9-14(13)18/h5-9H,18H2,1-4H3,(H,19,20)
InChIKeyAPOJIIOJEVDTLB-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.16
Rot. Bonds4

About 2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide

2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide (PubChem CID 43825333) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide
PubChem CID43825333
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide
SMILESCOc1cc(N)c(C(=O)Nc2cc(C)cc(C)c2)cc1OC
InChIInChI=1S/C17H20N2O3/c1-10-5-11(2)7-12(6-10)19-17(20)13-8-15(21-3)16(22-4)9-14(13)18/h5-9H,18H2,1-4H3,(H,19,20)
InChIKeyAPOJIIOJEVDTLB-UHFFFAOYSA-N
XLogP3.16
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.16
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

2-bromo-N-(3,5-dimethylphenyl)-3,4,5-trimethoxybenzamide
CID 19171551
2-amino-N-(3-hydroxyphenyl)-4,5-dimethoxybenzamide
CID 61168074
2-amino-N-hydroxy-4,5-dimethoxybenzamide
CID 11535831
2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide
CID 14127147
2-amino-N-(4-methoxy-3-methylphenyl)-5-methylbenzamide
CID 62510394
2-amino-N-(6-chloro-3-pyridinyl)-4,5-dimethoxybenzamide
CID 115279862
[2-(3,5-dimethylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566389
1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide
CID 61092080
N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 2200296
4-amino-N-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81239196
2-amino-5-bromo-4-methoxy-N-methylbenzamide
CID 167259236

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide?
The IUPAC name of 2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide (CID 43825333) is 2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide.
What is the SMILES notation for 2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide?
The canonical SMILES for 2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide is COc1cc(N)c(C(=O)Nc2cc(C)cc(C)c2)cc1OC.
What is the InChIKey of 2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide?
The InChIKey is APOJIIOJEVDTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-10-5-11(2)7-12(6-10)19-17(20)13-8-15(21-3)16(22-4)9-14(13)18/h5-9H,18H2,1-4H3,(H,19,20).
What are the key properties of 2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide?
2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide has a molecular weight of 300.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide is sourced from PubChem (CID 43825333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).