N'-benzyl-N-[2-(4-methoxyanilino)ethyl]-N-methylbenzenecarboximidamide

C24H27N3O — CID 10547372

IUPACN'-benzyl-N-[2-(4-methoxyanilino)ethyl]-N-methylbenzenecarboximidamide
SMILESCOc1ccc(NCCN(C)/C(=N/Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H27N3O/c1-27(18-17-25-22-13-15-23(28-2)16-14-22)24(21-11-7-4-8-12-21)26-19-20-9-5-3-6-10-20/h3-16,25H,17-19H2,1-2H3/b26-24+
InChIKeyDZAPPJXWEYJRLP-SHHOIMCASA-N
MW373.50 g/mol
LogP4.69
Rot. Bonds8

About N'-benzyl-N-[2-(4-methoxyanilino)ethyl]-N-methylbenzenecarboximidamide

N'-benzyl-N-[2-(4-methoxyanilino)ethyl]-N-methylbenzenecarboximidamide (PubChem CID 10547372) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N'-benzyl-N-[2-(4-methoxyanilino)ethyl]-N-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-benzyl-N-[2-(4-methoxyanilino)ethyl]-N-methylbenzenecarboximidamide
PubChem CID10547372
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN'-benzyl-N-[2-(4-methoxyanilino)ethyl]-N-methylbenzenecarboximidamide
SMILESCOc1ccc(NCCN(C)/C(=N/Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H27N3O/c1-27(18-17-25-22-13-15-23(28-2)16-14-22)24(21-11-7-4-8-12-21)26-19-20-9-5-3-6-10-20/h3-16,25H,17-19H2,1-2H3/b26-24+
InChIKeyDZAPPJXWEYJRLP-SHHOIMCASA-N
XLogP4.69
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-benzyl-N-[2-(4-methoxyanilino)ethyl]-N-methylbenzenecarboximidamide 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-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
N',N'-dimethyl-N-(4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 82096405
2-[[N'-benzyl-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcarbamimidoyl]amino]-N,N-dimethylacetamide
CID 111363553
4-methoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983237
2-benzyl-3-[3-[(4-methoxyphenyl)methoxy]propyl]-1,1-dimethylguanidine
CID 111099456
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
2-benzyl-1-(4-methoxyphenyl)-3-(trifluoromethylsulfonyl)guanidine
CID 102482991
1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine
CID 111063266
2-benzyl-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,1-dimethylguanidine
CID 111067522
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
1-[2-[benzyl(methyl)amino]ethyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111181866
2-[2-[benzyl(methyl)amino]ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111078698

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[2-(4-methoxyanilino)ethyl]-N-methylbenzenecarboximidamide?
The IUPAC name of N'-benzyl-N-[2-(4-methoxyanilino)ethyl]-N-methylbenzenecarboximidamide (CID 10547372) is N'-benzyl-N-[2-(4-methoxyanilino)ethyl]-N-methylbenzenecarboximidamide.
What is the SMILES notation for N'-benzyl-N-[2-(4-methoxyanilino)ethyl]-N-methylbenzenecarboximidamide?
The canonical SMILES for N'-benzyl-N-[2-(4-methoxyanilino)ethyl]-N-methylbenzenecarboximidamide is COc1ccc(NCCN(C)/C(=N/Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N'-benzyl-N-[2-(4-methoxyanilino)ethyl]-N-methylbenzenecarboximidamide?
The InChIKey is DZAPPJXWEYJRLP-SHHOIMCASA-N. The full InChI is InChI=1S/C24H27N3O/c1-27(18-17-25-22-13-15-23(28-2)16-14-22)24(21-11-7-4-8-12-21)26-19-20-9-5-3-6-10-20/h3-16,25H,17-19H2,1-2H3/b26-24+.
What are the key properties of N'-benzyl-N-[2-(4-methoxyanilino)ethyl]-N-methylbenzenecarboximidamide?
N'-benzyl-N-[2-(4-methoxyanilino)ethyl]-N-methylbenzenecarboximidamide has a molecular weight of 373.50 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[2-(4-methoxyanilino)ethyl]-N-methylbenzenecarboximidamide is sourced from PubChem (CID 10547372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).