N-(4-amino-2-methoxyphenyl)-3-(dimethylamino)benzamide

C16H19N3O2 — CID 43329162

IUPACN-(4-amino-2-methoxyphenyl)-3-(dimethylamino)benzamide
SMILESCOc1cc(N)ccc1NC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C16H19N3O2/c1-19(2)13-6-4-5-11(9-13)16(20)18-14-8-7-12(17)10-15(14)21-3/h4-10H,17H2,1-3H3,(H,18,20)
InChIKeyZCVGVIPKTSMOLB-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.60
Rot. Bonds4

About N-(4-amino-2-methoxyphenyl)-3-(dimethylamino)benzamide

N-(4-amino-2-methoxyphenyl)-3-(dimethylamino)benzamide (PubChem CID 43329162) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-3-(dimethylamino)benzamide
PubChem CID43329162
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(4-amino-2-methoxyphenyl)-3-(dimethylamino)benzamide
SMILESCOc1cc(N)ccc1NC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C16H19N3O2/c1-19(2)13-6-4-5-11(9-13)16(20)18-14-8-7-12(17)10-15(14)21-3/h4-10H,17H2,1-3H3,(H,18,20)
InChIKeyZCVGVIPKTSMOLB-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-N-(4-amino-2-methoxyphenyl)benzamide
CID 28867873
N-(4-amino-2-methoxyphenyl)-3-ethoxybenzamide
CID 54852547
N-(4-amino-2-methoxyphenyl)-3-(2-ethoxyethoxy)benzamide
CID 54852788
N-(4-amino-2-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 16779548
N-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63183956
N-(3-amino-2-methylphenyl)-3-(dimethylamino)benzamide
CID 43146782
N-[2-(aminomethyl)-5-[[3-(dimethylamino)benzoyl]amino]phenyl]-3,4-dimethoxybenzamide
CID 151119860
N-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide
CID 54852579
3-(dimethylamino)-N-(4-methoxy-3-methylphenyl)benzamide
CID 87032363
N-(4-amino-2-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 63085782
N-(4-amino-2-methoxyphenyl)-4-methylsulfanylbenzamide
CID 79215059
N-(4-amino-2-methoxyphenyl)-2-hydroxy-3-methoxybenzamide
CID 24709358

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-3-(dimethylamino)benzamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-3-(dimethylamino)benzamide (CID 43329162) is N-(4-amino-2-methoxyphenyl)-3-(dimethylamino)benzamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-3-(dimethylamino)benzamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-3-(dimethylamino)benzamide is COc1cc(N)ccc1NC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-3-(dimethylamino)benzamide?
The InChIKey is ZCVGVIPKTSMOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19(2)13-6-4-5-11(9-13)16(20)18-14-8-7-12(17)10-15(14)21-3/h4-10H,17H2,1-3H3,(H,18,20).
What are the key properties of N-(4-amino-2-methoxyphenyl)-3-(dimethylamino)benzamide?
N-(4-amino-2-methoxyphenyl)-3-(dimethylamino)benzamide 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 N-(4-amino-2-methoxyphenyl)-3-(dimethylamino)benzamide is sourced from PubChem (CID 43329162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).