N-[3-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]phenyl]acetamide

C18H22N4O3 — CID 111044906

IUPACN-[3-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]phenyl]acetamide
SMILESCOc1ccc(OC)c(N/C(N)=N/Cc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C18H22N4O3/c1-12(23)21-14-6-4-5-13(9-14)11-20-18(19)22-16-10-15(24-2)7-8-17(16)25-3/h4-10H,11H2,1-3H3,(H,21,23)(H3,19,20,22)
InChIKeyAUQHXWGUBREQQO-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.59
Rot. Bonds6

About N-[3-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]phenyl]acetamide

N-[3-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]phenyl]acetamide (PubChem CID 111044906) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[3-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]phenyl]acetamide
PubChem CID111044906
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[3-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]phenyl]acetamide
SMILESCOc1ccc(OC)c(N/C(N)=N/Cc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C18H22N4O3/c1-12(23)21-14-6-4-5-13(9-14)11-20-18(19)22-16-10-15(24-2)7-8-17(16)25-3/h4-10H,11H2,1-3H3,(H,21,23)(H3,19,20,22)
InChIKeyAUQHXWGUBREQQO-UHFFFAOYSA-N
XLogP2.59
TPSA97.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-[3-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]phenyl]-2-methylbutanamide
CID 111052429
3-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]-N-propylbenzamide
CID 111058658
N-[5-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]-2-pyridinyl]acetamide
CID 166229134
2-[[3-(2,2-difluoroethoxy)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111097988
1-(2,5-dimethoxyphenyl)-2-[[4-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053856
N-[3-[[[amino-(2,5-diethoxyanilino)methylidene]amino]methyl]phenyl]butanamide
CID 111061643
N-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide
CID 111598250
N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]acetamide
CID 111044874
2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 110062228
1-(2,5-dimethoxyphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
CID 111087818
2-[[3-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111053993
2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111808572

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]phenyl]acetamide (CID 111044906) is N-[3-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]phenyl]acetamide is COc1ccc(OC)c(N/C(N)=N/Cc2cccc(NC(C)=O)c2)c1.
What is the InChIKey of N-[3-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]phenyl]acetamide?
The InChIKey is AUQHXWGUBREQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12(23)21-14-6-4-5-13(9-14)11-20-18(19)22-16-10-15(24-2)7-8-17(16)25-3/h4-10H,11H2,1-3H3,(H,21,23)(H3,19,20,22).
What are the key properties of N-[3-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]phenyl]acetamide?
N-[3-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]phenyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[amino-(2,5-dimethoxyanilino)methylidene]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 111044906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).