N-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide

C18H28N4O2 — CID 111752348

IUPACN-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide
SMILESCOc1ccc(CCN/C(N)=N/CCCNC(=O)C2CCC2)cc1
InChIInChI=1S/C18H28N4O2/c1-24-16-8-6-14(7-9-16)10-13-22-18(19)21-12-3-11-20-17(23)15-4-2-5-15/h6-9,15H,2-5,10-13H2,1H3,(H,20,23)(H3,19,21,22)
InChIKeyZHXQRGAGGQGRMK-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.45
Rot. Bonds9

About N-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide

N-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide (PubChem CID 111752348) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide
PubChem CID111752348
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide
SMILESCOc1ccc(CCN/C(N)=N/CCCNC(=O)C2CCC2)cc1
InChIInChI=1S/C18H28N4O2/c1-24-16-8-6-14(7-9-16)10-13-22-18(19)21-12-3-11-20-17(23)15-4-2-5-15/h6-9,15H,2-5,10-13H2,1H3,(H,20,23)(H3,19,21,22)
InChIKeyZHXQRGAGGQGRMK-UHFFFAOYSA-N
XLogP1.45
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.45
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

N-[3-[[amino-(4-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752383
3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119673157
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
N-[3-[[amino-(3-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752271
1-[2-(4-methoxyphenyl)ethyl]-2-(3-phenylpropyl)guanidine;hydroiodide
CID 110924943
N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 119299643
1-[2-(4-methoxyphenyl)ethyl]-2-[4-(4-methylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 110927209
N-[2-(4-methoxyphenyl)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55713699
N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752382
2-amino-N-[2-(4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 64817742
N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752286
N-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide
CID 111752274

Frequently Asked Questions

What is the IUPAC name of N-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide (CID 111752348) is N-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide is COc1ccc(CCN/C(N)=N/CCCNC(=O)C2CCC2)cc1.
What is the InChIKey of N-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide?
The InChIKey is ZHXQRGAGGQGRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-24-16-8-6-14(7-9-16)10-13-22-18(19)21-12-3-11-20-17(23)15-4-2-5-15/h6-9,15H,2-5,10-13H2,1H3,(H,20,23)(H3,19,21,22).
What are the key properties of N-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide?
N-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.45, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 111752348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).