2-[[N-[(4-methoxyphenyl)methyl]-C-[4-(3-methylphenyl)piperazin-1-yl]carbonimidoyl]amino]-N,N-dimethylacetamide

C24H33N5O2 — CID 110038575

IUPAC2-[[N-[(4-methoxyphenyl)methyl]-C-[4-(3-methylphenyl)piperazin-1-yl]carbonimidoyl]amino]-N,N-dimethylacetamide
SMILESCOc1ccc(C/N=C(\NCC(=O)N(C)C)N2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C24H33N5O2/c1-19-6-5-7-21(16-19)28-12-14-29(15-13-28)24(26-18-23(30)27(2)3)25-17-20-8-10-22(31-4)11-9-20/h5-11,16H,12-15,17-18H2,1-4H3,(H,25,26)
InChIKeyFFGJZQXDJVLMAG-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.36
Rot. Bonds6

About 2-[[N-[(4-methoxyphenyl)methyl]-C-[4-(3-methylphenyl)piperazin-1-yl]carbonimidoyl]amino]-N,N-dimethylacetamide

2-[[N-[(4-methoxyphenyl)methyl]-C-[4-(3-methylphenyl)piperazin-1-yl]carbonimidoyl]amino]-N,N-dimethylacetamide (PubChem CID 110038575) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-[[N-[(4-methoxyphenyl)methyl]-C-[4-(3-methylphenyl)piperazin-1-yl]carbonimidoyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[N-[(4-methoxyphenyl)methyl]-C-[4-(3-methylphenyl)piperazin-1-yl]carbonimidoyl]amino]-N,N-dimethylacetamide
PubChem CID110038575
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name2-[[N-[(4-methoxyphenyl)methyl]-C-[4-(3-methylphenyl)piperazin-1-yl]carbonimidoyl]amino]-N,N-dimethylacetamide
SMILESCOc1ccc(C/N=C(\NCC(=O)N(C)C)N2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C24H33N5O2/c1-19-6-5-7-21(16-19)28-12-14-29(15-13-28)24(26-18-23(30)27(2)3)25-17-20-8-10-22(31-4)11-9-20/h5-11,16H,12-15,17-18H2,1-4H3,(H,25,26)
InChIKeyFFGJZQXDJVLMAG-UHFFFAOYSA-N
XLogP2.36
TPSA60.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[N-[(4-methoxyphenyl)methyl]-C-[4-(3-methylphenyl)piperazin-1-yl]carbonimidoyl]amino]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 112994410
[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 108990024
4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N'-methylpiperazine-1-carboximidamide
CID 111290635
2-[[N-[(4-methoxyphenyl)methyl]-C-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]carbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043524
2-[[ethylamino-[4-(3-methoxyphenyl)piperazin-1-yl]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111290890
2-[[N-[1-(3-fluorophenyl)piperidin-3-yl]-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 110041265
N'-benzyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboximidamide
CID 111290013
2-(4-methoxyphenyl)sulfanyl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 35875948
2-[[N-benzyl-C-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]carbonimidoyl]amino]-N,N-dimethylacetamide
CID 110044163
2-[[N'-[(4-methoxyphenyl)methyl]-N-(1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 110040252
2-[[N-[(4-methoxyphenyl)methyl]-C-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]carbonimidoyl]amino]-N,N-dimethylacetamide
CID 110044229
N-ethyl-N'-[[4-(2-methoxyethylamino)phenyl]methyl]-4-(3-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111290442

Frequently Asked Questions

What is the IUPAC name of 2-[[N-[(4-methoxyphenyl)methyl]-C-[4-(3-methylphenyl)piperazin-1-yl]carbonimidoyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[N-[(4-methoxyphenyl)methyl]-C-[4-(3-methylphenyl)piperazin-1-yl]carbonimidoyl]amino]-N,N-dimethylacetamide (CID 110038575) is 2-[[N-[(4-methoxyphenyl)methyl]-C-[4-(3-methylphenyl)piperazin-1-yl]carbonimidoyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[N-[(4-methoxyphenyl)methyl]-C-[4-(3-methylphenyl)piperazin-1-yl]carbonimidoyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[N-[(4-methoxyphenyl)methyl]-C-[4-(3-methylphenyl)piperazin-1-yl]carbonimidoyl]amino]-N,N-dimethylacetamide is COc1ccc(C/N=C(\NCC(=O)N(C)C)N2CCN(c3cccc(C)c3)CC2)cc1.
What is the InChIKey of 2-[[N-[(4-methoxyphenyl)methyl]-C-[4-(3-methylphenyl)piperazin-1-yl]carbonimidoyl]amino]-N,N-dimethylacetamide?
The InChIKey is FFGJZQXDJVLMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-19-6-5-7-21(16-19)28-12-14-29(15-13-28)24(26-18-23(30)27(2)3)25-17-20-8-10-22(31-4)11-9-20/h5-11,16H,12-15,17-18H2,1-4H3,(H,25,26).
What are the key properties of 2-[[N-[(4-methoxyphenyl)methyl]-C-[4-(3-methylphenyl)piperazin-1-yl]carbonimidoyl]amino]-N,N-dimethylacetamide?
2-[[N-[(4-methoxyphenyl)methyl]-C-[4-(3-methylphenyl)piperazin-1-yl]carbonimidoyl]amino]-N,N-dimethylacetamide has a molecular weight of 423.56 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[N-[(4-methoxyphenyl)methyl]-C-[4-(3-methylphenyl)piperazin-1-yl]carbonimidoyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110038575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).