3-amino-N-[3-(dimethylamino)phenyl]-5-methoxybenzamide

C16H19N3O2 — CID 115375718

IUPAC3-amino-N-[3-(dimethylamino)phenyl]-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)Nc2cccc(N(C)C)c2)c1
InChIInChI=1S/C16H19N3O2/c1-19(2)14-6-4-5-13(10-14)18-16(20)11-7-12(17)9-15(8-11)21-3/h4-10H,17H2,1-3H3,(H,18,20)
InChIKeyPGHXHPONJSMLBH-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.60
Rot. Bonds4

About 3-amino-N-[3-(dimethylamino)phenyl]-5-methoxybenzamide

3-amino-N-[3-(dimethylamino)phenyl]-5-methoxybenzamide (PubChem CID 115375718) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-amino-N-[3-(dimethylamino)phenyl]-5-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[3-(dimethylamino)phenyl]-5-methoxybenzamide
PubChem CID115375718
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-amino-N-[3-(dimethylamino)phenyl]-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)Nc2cccc(N(C)C)c2)c1
InChIInChI=1S/C16H19N3O2/c1-19(2)14-6-4-5-13(10-14)18-16(20)11-7-12(17)9-15(8-11)21-3/h4-10H,17H2,1-3H3,(H,18,20)
InChIKeyPGHXHPONJSMLBH-UHFFFAOYSA-N
XLogP2.60
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-ethoxy-N-(3-methoxyphenyl)benzamide
CID 81094945
3-amino-N-[3-(dimethylamino)phenyl]-4-methoxybenzamide
CID 115375762
3-amino-N-(4-bromo-3-methoxyphenyl)-5-methoxybenzamide
CID 82858988
1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866355
1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050069
3-amino-N-(4-cyanophenyl)-5-methoxybenzamide
CID 78985323
3-amino-N-(3-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 81093136
3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
CID 110488278
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
4-amino-N-[3-(dimethylamino)phenyl]-2-methylbenzamide
CID 115375733
3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide
CID 110726291
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(dimethylamino)phenyl]-5-methoxybenzamide?
The IUPAC name of 3-amino-N-[3-(dimethylamino)phenyl]-5-methoxybenzamide (CID 115375718) is 3-amino-N-[3-(dimethylamino)phenyl]-5-methoxybenzamide.
What is the SMILES notation for 3-amino-N-[3-(dimethylamino)phenyl]-5-methoxybenzamide?
The canonical SMILES for 3-amino-N-[3-(dimethylamino)phenyl]-5-methoxybenzamide is COc1cc(N)cc(C(=O)Nc2cccc(N(C)C)c2)c1.
What is the InChIKey of 3-amino-N-[3-(dimethylamino)phenyl]-5-methoxybenzamide?
The InChIKey is PGHXHPONJSMLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19(2)14-6-4-5-13(10-14)18-16(20)11-7-12(17)9-15(8-11)21-3/h4-10H,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-N-[3-(dimethylamino)phenyl]-5-methoxybenzamide?
3-amino-N-[3-(dimethylamino)phenyl]-5-methoxybenzamide has a molecular weight of 285.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(dimethylamino)phenyl]-5-methoxybenzamide is sourced from PubChem (CID 115375718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).