N-[3-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]propyl]-3-hydroxybenzamide

C23H32N4O3 — CID 111389251

IUPACN-[3-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]propyl]-3-hydroxybenzamide
SMILESCCN/C(=N\CCCNC(=O)c1cccc(O)c1)NCCc1cc(C)ccc1OC
InChIInChI=1S/C23H32N4O3/c1-4-24-23(27-14-11-18-15-17(2)9-10-21(18)30-3)26-13-6-12-25-22(29)19-7-5-8-20(28)16-19/h5,7-10,15-16,28H,4,6,11-14H2,1-3H3,(H,25,29)(H2,24,26,27)
InChIKeyWXQUUONMBGNALL-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.63
Rot. Bonds10

About N-[3-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]propyl]-3-hydroxybenzamide

N-[3-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]propyl]-3-hydroxybenzamide (PubChem CID 111389251) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[3-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]propyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]propyl]-3-hydroxybenzamide
PubChem CID111389251
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN-[3-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]propyl]-3-hydroxybenzamide
SMILESCCN/C(=N\CCCNC(=O)c1cccc(O)c1)NCCc1cc(C)ccc1OC
InChIInChI=1S/C23H32N4O3/c1-4-24-23(27-14-11-18-15-17(2)9-10-21(18)30-3)26-13-6-12-25-22(29)19-7-5-8-20(28)16-19/h5,7-10,15-16,28H,4,6,11-14H2,1-3H3,(H,25,29)(H2,24,26,27)
InChIKeyWXQUUONMBGNALL-UHFFFAOYSA-N
XLogP2.63
TPSA94.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111776304
N-[3-[[butylamino(ethylamino)methylidene]amino]propyl]-3-hydroxybenzamide;hydroiodide
CID 111150111
N-[3-[(N-ethyl-N'-propylcarbamimidoyl)amino]propyl]-3-hydroxybenzamide;hydroiodide
CID 111227376
2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-propylacetamide
CID 111389462
N-ethyl-4-[[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111389672
3-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N,N-dimethylpropanamide
CID 71875751
N-ethyl-3-[[[N-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111389034
3-methoxy-N-[2-[[N-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111388411
1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110972798
2-[2-(benzenesulfinyl)ethyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine
CID 111786755
2-[2-(tert-butylamino)ethyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide
CID 111767974
2-[2-(benzenesulfonyl)ethyl]-1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide
CID 111388961

Frequently Asked Questions

What is the IUPAC name of N-[3-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]propyl]-3-hydroxybenzamide?
The IUPAC name of N-[3-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]propyl]-3-hydroxybenzamide (CID 111389251) is N-[3-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]propyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[3-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]propyl]-3-hydroxybenzamide?
The canonical SMILES for N-[3-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]propyl]-3-hydroxybenzamide is CCN/C(=N\CCCNC(=O)c1cccc(O)c1)NCCc1cc(C)ccc1OC.
What is the InChIKey of N-[3-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]propyl]-3-hydroxybenzamide?
The InChIKey is WXQUUONMBGNALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-4-24-23(27-14-11-18-15-17(2)9-10-21(18)30-3)26-13-6-12-25-22(29)19-7-5-8-20(28)16-19/h5,7-10,15-16,28H,4,6,11-14H2,1-3H3,(H,25,29)(H2,24,26,27).
What are the key properties of N-[3-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]propyl]-3-hydroxybenzamide?
N-[3-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]propyl]-3-hydroxybenzamide has a molecular weight of 412.53 g/mol, XLogP of 2.63, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]propyl]-3-hydroxybenzamide is sourced from PubChem (CID 111389251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).