3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium

C18H30N3O4+ — CID 7271327

IUPAC3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium
SMILESCCOCCO/C(=N\CCC[NH+](C)C)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H29N3O4/c1-5-24-13-14-25-18(19-11-6-12-21(2)3)20-17(22)15-7-9-16(23-4)10-8-15/h7-10H,5-6,11-14H2,1-4H3,(H,19,20,22)/p+1
InChIKeyWXVZCGZZZMUIKX-UHFFFAOYSA-O
MW352.46 g/mol
LogP0.37
Rot. Bonds10

About 3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium

3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium (PubChem CID 7271327) has the molecular formula C18H30N3O4+ and a molecular weight of 352.46 g/mol. Its IUPAC name is 3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium
PubChem CID7271327
Molecular FormulaC18H30N3O4+
Molecular Weight352.46 g/mol
Exact Mass352.22
IUPAC Name3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium
SMILESCCOCCO/C(=N\CCC[NH+](C)C)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H29N3O4/c1-5-24-13-14-25-18(19-11-6-12-21(2)3)20-17(22)15-7-9-16(23-4)10-8-15/h7-10H,5-6,11-14H2,1-4H3,(H,19,20,22)/p+1
InChIKeyWXVZCGZZZMUIKX-UHFFFAOYSA-O
XLogP0.37
TPSA73.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium with MolForge

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Related Compounds

2-ethoxyethyl N'-cyclopropyl-N-(4-methoxybenzoyl)carbamimidate
CID 7296512
2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7296851
2-ethoxyethyl N'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate
CID 7416243
2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[[(2S)-oxolan-2-yl]methyl]carbamimidate
CID 7362580
2-methoxyethyl N-(4-methoxybenzoyl)-N'-(2-pyrrolidin-1-ium-1-ylethyl)carbamimidate
CID 7226715
2-ethoxyethyl N-(3-methoxybenzoyl)-N'-(3-methylbutyl)carbamimidate
CID 7338069
2-ethoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate
CID 7237354
ethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxybenzoyl)carbamimidate
CID 7419564
2-ethoxyethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate
CID 5145915
2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium
CID 7458489
ethyl N'-butyl-N-(4-methylbenzoyl)carbamimidate
CID 4035465
propyl N'-hexyl-N-(4-methylbenzoyl)carbamimidate
CID 7238238

Frequently Asked Questions

What is the IUPAC name of 3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium?
The IUPAC name of 3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium (CID 7271327) is 3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium.
What is the SMILES notation for 3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium?
The canonical SMILES for 3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium is CCOCCO/C(=N\CCC[NH+](C)C)NC(=O)c1ccc(OC)cc1.
What is the InChIKey of 3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium?
The InChIKey is WXVZCGZZZMUIKX-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H29N3O4/c1-5-24-13-14-25-18(19-11-6-12-21(2)3)20-17(22)15-7-9-16(23-4)10-8-15/h7-10H,5-6,11-14H2,1-4H3,(H,19,20,22)/p+1.
What are the key properties of 3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium?
3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium has a molecular weight of 352.46 g/mol, XLogP of 0.37, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium is sourced from PubChem (CID 7271327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).