2-[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide

C23H32N4O3 — CID 109461974

IUPAC2-[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide
SMILESCCN/C(=N\CC(=O)NCCc1ccccc1)Nc1cccc(OCCCOC)c1
InChIInChI=1S/C23H32N4O3/c1-3-24-23(26-18-22(28)25-14-13-19-9-5-4-6-10-19)27-20-11-7-12-21(17-20)30-16-8-15-29-2/h4-7,9-12,17H,3,8,13-16,18H2,1-2H3,(H,25,28)(H2,24,26,27)
InChIKeyWLVPKRLRBXDEMZ-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.84
Rot. Bonds12

About 2-[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide

2-[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide (PubChem CID 109461974) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide
PubChem CID109461974
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name2-[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide
SMILESCCN/C(=N\CC(=O)NCCc1ccccc1)Nc1cccc(OCCCOC)c1
InChIInChI=1S/C23H32N4O3/c1-3-24-23(26-18-22(28)25-14-13-19-9-5-4-6-10-19)27-20-11-7-12-21(17-20)30-16-8-15-29-2/h4-7,9-12,17H,3,8,13-16,18H2,1-2H3,(H,25,28)(H2,24,26,27)
InChIKeyWLVPKRLRBXDEMZ-UHFFFAOYSA-N
XLogP2.84
TPSA83.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.84
H-Bond Donors ≤ 53
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

1,2-diethyl-3-[3-(3-methoxypropoxy)phenyl]guanidine
CID 109461002
2-(2-benzylsulfinylethyl)-1-ethyl-3-[3-(3-methoxypropoxy)phenyl]guanidine
CID 109461602
1-ethyl-3-[3-(3-methoxypropoxy)phenyl]-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine
CID 109460892
tert-butyl N-[2-[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]ethyl]carbamate
CID 109462220
methyl N-[4-[[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]methyl]phenyl]carbamate
CID 109460588
1-ethyl-2-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(3-methoxypropoxy)phenyl]guanidine;hydroiodide
CID 109462209
methyl 3-[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]-2-methylpropanoate
CID 109460186
3-[2-[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 109460515
tert-butyl N-[2-[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]ethyl]carbamate;hydroiodide
CID 109462219
1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-[3-(3-methoxypropoxy)phenyl]guanidine
CID 109461318
2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide
CID 110930238
N,N-diethyl-3-[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]propanamide;hydroiodide
CID 109461985

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide (CID 109461974) is 2-[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide is CCN/C(=N\CC(=O)NCCc1ccccc1)Nc1cccc(OCCCOC)c1.
What is the InChIKey of 2-[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide?
The InChIKey is WLVPKRLRBXDEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-3-24-23(26-18-22(28)25-14-13-19-9-5-4-6-10-19)27-20-11-7-12-21(17-20)30-16-8-15-29-2/h4-7,9-12,17H,3,8,13-16,18H2,1-2H3,(H,25,28)(H2,24,26,27).
What are the key properties of 2-[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide?
2-[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide has a molecular weight of 412.53 g/mol, XLogP of 2.84, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[3-(3-methoxypropoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 109461974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).