4-[[ethyl(methyl)amino]methylideneamino]-2,3,5-trimethyl-N-(2-phenylethyl)benzamide

C22H29N3O — CID 174172980

IUPAC4-[[ethyl(methyl)amino]methylideneamino]-2,3,5-trimethyl-N-(2-phenylethyl)benzamide
SMILESCCN(C)/C=N/c1c(C)cc(C(=O)NCCc2ccccc2)c(C)c1C
InChIInChI=1S/C22H29N3O/c1-6-25(5)15-24-21-16(2)14-20(17(3)18(21)4)22(26)23-13-12-19-10-8-7-9-11-19/h7-11,14-15H,6,12-13H2,1-5H3,(H,23,26)/b24-15+
InChIKeyDZKBSKVBIVWZPY-BUVRLJJBSA-N
MW351.49 g/mol
LogP4.20
Rot. Bonds7

About 4-[[ethyl(methyl)amino]methylideneamino]-2,3,5-trimethyl-N-(2-phenylethyl)benzamide

4-[[ethyl(methyl)amino]methylideneamino]-2,3,5-trimethyl-N-(2-phenylethyl)benzamide (PubChem CID 174172980) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-[[ethyl(methyl)amino]methylideneamino]-2,3,5-trimethyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[[ethyl(methyl)amino]methylideneamino]-2,3,5-trimethyl-N-(2-phenylethyl)benzamide
PubChem CID174172980
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name4-[[ethyl(methyl)amino]methylideneamino]-2,3,5-trimethyl-N-(2-phenylethyl)benzamide
SMILESCCN(C)/C=N/c1c(C)cc(C(=O)NCCc2ccccc2)c(C)c1C
InChIInChI=1S/C22H29N3O/c1-6-25(5)15-24-21-16(2)14-20(17(3)18(21)4)22(26)23-13-12-19-10-8-7-9-11-19/h7-11,14-15H,6,12-13H2,1-5H3,(H,23,26)/b24-15+
InChIKeyDZKBSKVBIVWZPY-BUVRLJJBSA-N
XLogP4.20
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trimethyl-N-(2-phenylethyl)benzamide
CID 84533517
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
5-amino-2,4-dimethyl-N-(2-phenylethyl)benzamide
CID 102704827
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
2,4,5-trimethoxy-N-(2-phenylethyl)benzamide
CID 836555
2-iodo-4-methyl-N-(2-phenylethyl)benzamide
CID 100523119
2-amino-5-methyl-N-(2-phenylethyl)benzamide
CID 62073277
3-(dimethylamino)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 54213581
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
2-chloro-5-(diethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 7732727
3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 46410067
methyl 2-(2-phenylethylcarbamoyl)benzoate
CID 23935800

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(methyl)amino]methylideneamino]-2,3,5-trimethyl-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-[[ethyl(methyl)amino]methylideneamino]-2,3,5-trimethyl-N-(2-phenylethyl)benzamide (CID 174172980) is 4-[[ethyl(methyl)amino]methylideneamino]-2,3,5-trimethyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-[[ethyl(methyl)amino]methylideneamino]-2,3,5-trimethyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-[[ethyl(methyl)amino]methylideneamino]-2,3,5-trimethyl-N-(2-phenylethyl)benzamide is CCN(C)/C=N/c1c(C)cc(C(=O)NCCc2ccccc2)c(C)c1C.
What is the InChIKey of 4-[[ethyl(methyl)amino]methylideneamino]-2,3,5-trimethyl-N-(2-phenylethyl)benzamide?
The InChIKey is DZKBSKVBIVWZPY-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H29N3O/c1-6-25(5)15-24-21-16(2)14-20(17(3)18(21)4)22(26)23-13-12-19-10-8-7-9-11-19/h7-11,14-15H,6,12-13H2,1-5H3,(H,23,26)/b24-15+.
What are the key properties of 4-[[ethyl(methyl)amino]methylideneamino]-2,3,5-trimethyl-N-(2-phenylethyl)benzamide?
4-[[ethyl(methyl)amino]methylideneamino]-2,3,5-trimethyl-N-(2-phenylethyl)benzamide has a molecular weight of 351.49 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(methyl)amino]methylideneamino]-2,3,5-trimethyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 174172980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).