N-[3-[2-[[amino-(3-methylanilino)methylidene]amino]ethoxy]phenyl]acetamide

C18H22N4O2 — CID 111101623

IUPACN-[3-[2-[[amino-(3-methylanilino)methylidene]amino]ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCC/N=C(\N)Nc2cccc(C)c2)c1
InChIInChI=1S/C18H22N4O2/c1-13-5-3-6-15(11-13)22-18(19)20-9-10-24-17-8-4-7-16(12-17)21-14(2)23/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)(H3,19,20,22)
InChIKeyMMAPBCVHWDTBHZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.76
Rot. Bonds6

About N-[3-[2-[[amino-(3-methylanilino)methylidene]amino]ethoxy]phenyl]acetamide

N-[3-[2-[[amino-(3-methylanilino)methylidene]amino]ethoxy]phenyl]acetamide (PubChem CID 111101623) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[3-[2-[[amino-(3-methylanilino)methylidene]amino]ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[[amino-(3-methylanilino)methylidene]amino]ethoxy]phenyl]acetamide
PubChem CID111101623
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[3-[2-[[amino-(3-methylanilino)methylidene]amino]ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCC/N=C(\N)Nc2cccc(C)c2)c1
InChIInChI=1S/C18H22N4O2/c1-13-5-3-6-15(11-13)22-18(19)20-9-10-24-17-8-4-7-16(12-17)21-14(2)23/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)(H3,19,20,22)
InChIKeyMMAPBCVHWDTBHZ-UHFFFAOYSA-N
XLogP2.76
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 111031972
N-[3-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide
CID 111101624
N-[3-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethoxy]phenyl]acetamide
CID 111101685
2-[2-(3,4-difluorophenoxy)ethyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111806119
N-[3-[2-[[amino-(2-methoxyanilino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide
CID 111101620
2-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-(3-methylphenyl)guanidine
CID 111071999
N-[2-[[amino-(3-methylanilino)methylidene]amino]ethyl]acetamide;hydroiodide
CID 111027903
1-amino-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 64869053
2-[2-(3-fluorophenoxy)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111057887
2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine
CID 100667411
1-ethyl-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 62364211
1-(2-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide
CID 111031973

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[amino-(3-methylanilino)methylidene]amino]ethoxy]phenyl]acetamide?
The IUPAC name of N-[3-[2-[[amino-(3-methylanilino)methylidene]amino]ethoxy]phenyl]acetamide (CID 111101623) is N-[3-[2-[[amino-(3-methylanilino)methylidene]amino]ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[[amino-(3-methylanilino)methylidene]amino]ethoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[[amino-(3-methylanilino)methylidene]amino]ethoxy]phenyl]acetamide is CC(=O)Nc1cccc(OCC/N=C(\N)Nc2cccc(C)c2)c1.
What is the InChIKey of N-[3-[2-[[amino-(3-methylanilino)methylidene]amino]ethoxy]phenyl]acetamide?
The InChIKey is MMAPBCVHWDTBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-5-3-6-15(11-13)22-18(19)20-9-10-24-17-8-4-7-16(12-17)21-14(2)23/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)(H3,19,20,22).
What are the key properties of N-[3-[2-[[amino-(3-methylanilino)methylidene]amino]ethoxy]phenyl]acetamide?
N-[3-[2-[[amino-(3-methylanilino)methylidene]amino]ethoxy]phenyl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[amino-(3-methylanilino)methylidene]amino]ethoxy]phenyl]acetamide is sourced from PubChem (CID 111101623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).