2-[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide

C23H39N5O3 — CID 111935215

IUPAC2-[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCN/C(=N\CC(=O)NCc1ccc(OC)cc1)NCC(CC(C)C)N1CCOCC1
InChIInChI=1S/C23H39N5O3/c1-5-24-23(26-16-20(14-18(2)3)28-10-12-31-13-11-28)27-17-22(29)25-15-19-6-8-21(30-4)9-7-19/h6-9,18,20H,5,10-17H2,1-4H3,(H,25,29)(H2,24,26,27)
InChIKeyREGNANYVWRFQSI-UHFFFAOYSA-N
MW433.60 g/mol
LogP1.61
Rot. Bonds11

About 2-[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide

2-[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 111935215) has the molecular formula C23H39N5O3 and a molecular weight of 433.60 g/mol. Its IUPAC name is 2-[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID111935215
Molecular FormulaC23H39N5O3
Molecular Weight433.60 g/mol
Exact Mass433.31
IUPAC Name2-[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCN/C(=N\CC(=O)NCc1ccc(OC)cc1)NCC(CC(C)C)N1CCOCC1
InChIInChI=1S/C23H39N5O3/c1-5-24-23(26-16-20(14-18(2)3)28-10-12-31-13-11-28)27-17-22(29)25-15-19-6-8-21(30-4)9-7-19/h6-9,18,20H,5,10-17H2,1-4H3,(H,25,29)(H2,24,26,27)
InChIKeyREGNANYVWRFQSI-UHFFFAOYSA-N
XLogP1.61
TPSA87.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-ethyl-2-[[ethylamino-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]acetamide;hydroiodide
CID 111309369
2-[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111935050
2-[[ethylamino-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]-N-propylacetamide
CID 111309840
1-ethyl-2-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111216987
2-[[ethylamino-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111309755
1-ethyl-2-[[3-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111935307
1-ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)-2-[(4-methylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111935506
2-[[ethylamino-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111011628
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111936191
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-ethyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111936190
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111607023
2-[[ethylamino-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 111310060

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide (CID 111935215) is 2-[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide is CCN/C(=N\CC(=O)NCc1ccc(OC)cc1)NCC(CC(C)C)N1CCOCC1.
What is the InChIKey of 2-[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is REGNANYVWRFQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5O3/c1-5-24-23(26-16-20(14-18(2)3)28-10-12-31-13-11-28)27-17-22(29)25-15-19-6-8-21(30-4)9-7-19/h6-9,18,20H,5,10-17H2,1-4H3,(H,25,29)(H2,24,26,27).
What are the key properties of 2-[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 433.60 g/mol, XLogP of 1.61, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[(4-methyl-2-morpholin-4-ylpentyl)amino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 111935215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).