4-amino-3-(3-methoxy-N-methylanilino)-N-methylbenzamide

C16H19N3O2 — CID 63357313

IUPAC4-amino-3-(3-methoxy-N-methylanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(N(C)c2cccc(OC)c2)c1
InChIInChI=1S/C16H19N3O2/c1-18-16(20)11-7-8-14(17)15(9-11)19(2)12-5-4-6-13(10-12)21-3/h4-10H,17H2,1-3H3,(H,18,20)
InChIKeyHNPMAWLKGSXKKK-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.40
Rot. Bonds4

About 4-amino-3-(3-methoxy-N-methylanilino)-N-methylbenzamide

4-amino-3-(3-methoxy-N-methylanilino)-N-methylbenzamide (PubChem CID 63357313) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-amino-3-(3-methoxy-N-methylanilino)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-(3-methoxy-N-methylanilino)-N-methylbenzamide
PubChem CID63357313
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-amino-3-(3-methoxy-N-methylanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(N(C)c2cccc(OC)c2)c1
InChIInChI=1S/C16H19N3O2/c1-18-16(20)11-7-8-14(17)15(9-11)19(2)12-5-4-6-13(10-12)21-3/h4-10H,17H2,1-3H3,(H,18,20)
InChIKeyHNPMAWLKGSXKKK-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
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-amino-3-[methoxy(methyl)amino]-N-methylbenzamide
CID 63357385
4-amino-N-ethyl-3-(3-fluoro-N-methylanilino)benzamide
CID 63358936
4-amino-3-(N-ethyl-3-fluoroanilino)-N-methylbenzamide
CID 63357483
methyl 4-amino-3-(3-cyano-N-methylanilino)benzoate
CID 82776313
4-amino-3-[2-methoxyethyl(2-methylpropyl)amino]-N-methylbenzamide
CID 63357003
4-amino-N-methyl-3-phenoxybenzamide
CID 63357107
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
4-methoxy-3-[(3-methoxybenzoyl)amino]-N-methylbenzamide
CID 87001832
4-amino-N-methyl-3-(3-methylphenoxy)benzamide
CID 63357062
4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzamide
CID 63357504
N'-(4-aminobenzoyl)-3-methoxybenzohydrazide
CID 684303
2-amino-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 115413114

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-methoxy-N-methylanilino)-N-methylbenzamide?
The IUPAC name of 4-amino-3-(3-methoxy-N-methylanilino)-N-methylbenzamide (CID 63357313) is 4-amino-3-(3-methoxy-N-methylanilino)-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-(3-methoxy-N-methylanilino)-N-methylbenzamide?
The canonical SMILES for 4-amino-3-(3-methoxy-N-methylanilino)-N-methylbenzamide is CNC(=O)c1ccc(N)c(N(C)c2cccc(OC)c2)c1.
What is the InChIKey of 4-amino-3-(3-methoxy-N-methylanilino)-N-methylbenzamide?
The InChIKey is HNPMAWLKGSXKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-18-16(20)11-7-8-14(17)15(9-11)19(2)12-5-4-6-13(10-12)21-3/h4-10H,17H2,1-3H3,(H,18,20).
What are the key properties of 4-amino-3-(3-methoxy-N-methylanilino)-N-methylbenzamide?
4-amino-3-(3-methoxy-N-methylanilino)-N-methylbenzamide has a molecular weight of 285.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-methoxy-N-methylanilino)-N-methylbenzamide is sourced from PubChem (CID 63357313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).