4-methanimidoyl-3-(3-methoxy-2,6-dimethylphenyl)-5-(methylamino)benzamide

C18H21N3O2 — CID 171819874

IUPAC4-methanimidoyl-3-(3-methoxy-2,6-dimethylphenyl)-5-(methylamino)benzamide
SMILES[H]/N=C/c1c(NC)cc(C(N)=O)cc1-c1c(C)ccc(OC)c1C
InChIInChI=1S/C18H21N3O2/c1-10-5-6-16(23-4)11(2)17(10)13-7-12(18(20)22)8-15(21-3)14(13)9-19/h5-9,19,21H,1-4H3,(H2,20,22)/b19-9+
InChIKeyUXVNBVWZBIROAZ-DJKKODMXSA-N
MW311.39 g/mol
LogP3.12
Rot. Bonds5

About 4-methanimidoyl-3-(3-methoxy-2,6-dimethylphenyl)-5-(methylamino)benzamide

4-methanimidoyl-3-(3-methoxy-2,6-dimethylphenyl)-5-(methylamino)benzamide (PubChem CID 171819874) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-methanimidoyl-3-(3-methoxy-2,6-dimethylphenyl)-5-(methylamino)benzamide.

Molecular Properties

Compound Name4-methanimidoyl-3-(3-methoxy-2,6-dimethylphenyl)-5-(methylamino)benzamide
PubChem CID171819874
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-methanimidoyl-3-(3-methoxy-2,6-dimethylphenyl)-5-(methylamino)benzamide
SMILES[H]/N=C/c1c(NC)cc(C(N)=O)cc1-c1c(C)ccc(OC)c1C
InChIInChI=1S/C18H21N3O2/c1-10-5-6-16(23-4)11(2)17(10)13-7-12(18(20)22)8-15(21-3)14(13)9-19/h5-9,19,21H,1-4H3,(H2,20,22)/b19-9+
InChIKeyUXVNBVWZBIROAZ-DJKKODMXSA-N
XLogP3.12
TPSA88.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 171820164
4-(3-methoxy-2,6-dimethylphenyl)-1-methylindazole-6-carboxamide
CID 171820302
3-amino-6-(ethylamino)-5-methanimidoyl-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide
CID 171820315
3-amino-4-(2,6-dimethyl-3-phenylmethoxyphenyl)-5-methanimidoyl-6-(methylamino)pyridine-2-carboxamide
CID 171819984
4-methoxy-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43713844
3-amino-6-(furan-2-yl)-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide
CID 170346663
4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396
3-(difluoromethoxy)-4-methoxybenzamide
CID 47245743
N-(5-carbamoyl-2-methoxyphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 55783419
2-methanimidoyl-N,3-dimethyl-6-(trifluoromethyl)aniline
CID 143901601
4-methoxy-3-[(2-methylsulfonylphenyl)sulfonylamino]benzamide
CID 55901057
3-(1-cyclopropylpropan-2-ylamino)-4-methoxybenzamide
CID 115928738

Frequently Asked Questions

What is the IUPAC name of 4-methanimidoyl-3-(3-methoxy-2,6-dimethylphenyl)-5-(methylamino)benzamide?
The IUPAC name of 4-methanimidoyl-3-(3-methoxy-2,6-dimethylphenyl)-5-(methylamino)benzamide (CID 171819874) is 4-methanimidoyl-3-(3-methoxy-2,6-dimethylphenyl)-5-(methylamino)benzamide.
What is the SMILES notation for 4-methanimidoyl-3-(3-methoxy-2,6-dimethylphenyl)-5-(methylamino)benzamide?
The canonical SMILES for 4-methanimidoyl-3-(3-methoxy-2,6-dimethylphenyl)-5-(methylamino)benzamide is [H]/N=C/c1c(NC)cc(C(N)=O)cc1-c1c(C)ccc(OC)c1C.
What is the InChIKey of 4-methanimidoyl-3-(3-methoxy-2,6-dimethylphenyl)-5-(methylamino)benzamide?
The InChIKey is UXVNBVWZBIROAZ-DJKKODMXSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-10-5-6-16(23-4)11(2)17(10)13-7-12(18(20)22)8-15(21-3)14(13)9-19/h5-9,19,21H,1-4H3,(H2,20,22)/b19-9+.
What are the key properties of 4-methanimidoyl-3-(3-methoxy-2,6-dimethylphenyl)-5-(methylamino)benzamide?
4-methanimidoyl-3-(3-methoxy-2,6-dimethylphenyl)-5-(methylamino)benzamide has a molecular weight of 311.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanimidoyl-3-(3-methoxy-2,6-dimethylphenyl)-5-(methylamino)benzamide is sourced from PubChem (CID 171819874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).