2-[[ethylamino-[2-(3-methylphenyl)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide

C23H32N4O2 — CID 111660115

IUPAC2-[[ethylamino-[2-(3-methylphenyl)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCN/C(=N\CC(=O)NCc1ccc(OC)cc1)NCC(C)c1cccc(C)c1
InChIInChI=1S/C23H32N4O2/c1-5-24-23(26-14-18(3)20-8-6-7-17(2)13-20)27-16-22(28)25-15-19-9-11-21(29-4)12-10-19/h6-13,18H,5,14-16H2,1-4H3,(H,25,28)(H2,24,26,27)
InChIKeyKSUGDUMMAJQUAU-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.98
Rot. Bonds9

About 2-[[ethylamino-[2-(3-methylphenyl)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide

2-[[ethylamino-[2-(3-methylphenyl)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 111660115) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-[[ethylamino-[2-(3-methylphenyl)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[ethylamino-[2-(3-methylphenyl)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID111660115
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name2-[[ethylamino-[2-(3-methylphenyl)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCN/C(=N\CC(=O)NCc1ccc(OC)cc1)NCC(C)c1cccc(C)c1
InChIInChI=1S/C23H32N4O2/c1-5-24-23(26-14-18(3)20-8-6-7-17(2)13-20)27-16-22(28)25-15-19-9-11-21(29-4)12-10-19/h6-13,18H,5,14-16H2,1-4H3,(H,25,28)(H2,24,26,27)
InChIKeyKSUGDUMMAJQUAU-UHFFFAOYSA-N
XLogP2.98
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-[[ethylamino-[2-(3-methylphenyl)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111659677
2-[[ethylamino-(1-phenylethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 110948233
1-ethyl-3-[2-(3-methylphenyl)propyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111659313
2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111236908
2-[[ethylamino-(2-phenylethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111136345
2-[[ethylamino-(2-phenylethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111136344
1-ethyl-3-[2-(3-methylphenyl)propyl]-2-[[4-(methylsulfamoyl)phenyl]methyl]guanidine
CID 111659320
(3R)-N-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709852
2-[[ethylamino-[2-(3-methylphenoxy)propylamino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111686147
3-[[[ethylamino-[2-(3-methylphenyl)propylamino]methylidene]amino]methyl]-N-methylbenzamide
CID 111659709
2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111402331
2-[[ethylamino-[2-(3-methoxy-4-methylphenyl)ethylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111588580

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[2-(3-methylphenyl)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[[ethylamino-[2-(3-methylphenyl)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide (CID 111660115) is 2-[[ethylamino-[2-(3-methylphenyl)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[ethylamino-[2-(3-methylphenyl)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[[ethylamino-[2-(3-methylphenyl)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide is CCN/C(=N\CC(=O)NCc1ccc(OC)cc1)NCC(C)c1cccc(C)c1.
What is the InChIKey of 2-[[ethylamino-[2-(3-methylphenyl)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is KSUGDUMMAJQUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-5-24-23(26-14-18(3)20-8-6-7-17(2)13-20)27-16-22(28)25-15-19-9-11-21(29-4)12-10-19/h6-13,18H,5,14-16H2,1-4H3,(H,25,28)(H2,24,26,27).
What are the key properties of 2-[[ethylamino-[2-(3-methylphenyl)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[[ethylamino-[2-(3-methylphenyl)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 396.54 g/mol, XLogP of 2.98, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[2-(3-methylphenyl)propylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 111660115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).