5-propan-2-yl-2-[2,4,6-tris(methylamino)anilino]benzamide

C19H27N5O — CID 174595402

IUPAC5-propan-2-yl-2-[2,4,6-tris(methylamino)anilino]benzamide
SMILESCNc1cc(NC)c(Nc2ccc(C(C)C)cc2C(N)=O)c(NC)c1
InChIInChI=1S/C19H27N5O/c1-11(2)12-6-7-15(14(8-12)19(20)25)24-18-16(22-4)9-13(21-3)10-17(18)23-5/h6-11,21-24H,1-5H3,(H2,20,25)
InChIKeyICWUDZYAQOUIED-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.78
Rot. Bonds7

About 5-propan-2-yl-2-[2,4,6-tris(methylamino)anilino]benzamide

5-propan-2-yl-2-[2,4,6-tris(methylamino)anilino]benzamide (PubChem CID 174595402) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 5-propan-2-yl-2-[2,4,6-tris(methylamino)anilino]benzamide.

Molecular Properties

Compound Name5-propan-2-yl-2-[2,4,6-tris(methylamino)anilino]benzamide
PubChem CID174595402
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name5-propan-2-yl-2-[2,4,6-tris(methylamino)anilino]benzamide
SMILESCNc1cc(NC)c(Nc2ccc(C(C)C)cc2C(N)=O)c(NC)c1
InChIInChI=1S/C19H27N5O/c1-11(2)12-6-7-15(14(8-12)19(20)25)24-18-16(22-4)9-13(21-3)10-17(18)23-5/h6-11,21-24H,1-5H3,(H2,20,25)
InChIKeyICWUDZYAQOUIED-UHFFFAOYSA-N
XLogP3.78
TPSA91.21 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-5-propan-2-ylbenzoic acid
CID 130893256
5-(2-ethylpyrazol-3-yl)-2-[2,4,6-tris(methylamino)anilino]benzamide
CID 174595415
4-propan-2-yl-2-sulfanylbenzamide
CID 155744664
5-methoxy-2-(methylamino)benzamide
CID 66991664
2-(methylamino)-5-propan-2-ylbenzenethiol
CID 1482375
2-fluoro-N-methyl-4-propan-2-ylaniline
CID 58786905
2-(methylamino)-5-(trifluoromethyl)benzamide
CID 71246779
2-(piperidine-1-carbonyl)-5-propan-2-ylbenzamide
CID 68832507
2-(methylamino)-5-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 102239123
2-amino-5-propan-2-ylbenzohydrazide
CID 162699356
2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzamide
CID 91824572
5-[(1R)-1-aminoethyl]-2-hydroxybenzamide
CID 55255475

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-[2,4,6-tris(methylamino)anilino]benzamide?
The IUPAC name of 5-propan-2-yl-2-[2,4,6-tris(methylamino)anilino]benzamide (CID 174595402) is 5-propan-2-yl-2-[2,4,6-tris(methylamino)anilino]benzamide.
What is the SMILES notation for 5-propan-2-yl-2-[2,4,6-tris(methylamino)anilino]benzamide?
The canonical SMILES for 5-propan-2-yl-2-[2,4,6-tris(methylamino)anilino]benzamide is CNc1cc(NC)c(Nc2ccc(C(C)C)cc2C(N)=O)c(NC)c1.
What is the InChIKey of 5-propan-2-yl-2-[2,4,6-tris(methylamino)anilino]benzamide?
The InChIKey is ICWUDZYAQOUIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-11(2)12-6-7-15(14(8-12)19(20)25)24-18-16(22-4)9-13(21-3)10-17(18)23-5/h6-11,21-24H,1-5H3,(H2,20,25).
What are the key properties of 5-propan-2-yl-2-[2,4,6-tris(methylamino)anilino]benzamide?
5-propan-2-yl-2-[2,4,6-tris(methylamino)anilino]benzamide has a molecular weight of 341.46 g/mol, XLogP of 3.78, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-[2,4,6-tris(methylamino)anilino]benzamide is sourced from PubChem (CID 174595402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).