2-ethoxyethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylbenzoyl)carbamimidate

C23H30N2O5 — CID 7264739

IUPAC2-ethoxyethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylbenzoyl)carbamimidate
SMILESCCOCCO/C(=N\CCc1ccc(OC)c(OC)c1)NC(=O)c1ccccc1C
InChIInChI=1S/C23H30N2O5/c1-5-29-14-15-30-23(25-22(26)19-9-7-6-8-17(19)2)24-13-12-18-10-11-20(27-3)21(16-18)28-4/h6-11,16H,5,12-15H2,1-4H3,(H,24,25,26)
InChIKeyZMMZQTNBUTVAIM-UHFFFAOYSA-N
MW414.50 g/mol
LogP3.39
Rot. Bonds10

About 2-ethoxyethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylbenzoyl)carbamimidate

2-ethoxyethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylbenzoyl)carbamimidate (PubChem CID 7264739) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is 2-ethoxyethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylbenzoyl)carbamimidate.

Molecular Properties

Compound Name2-ethoxyethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylbenzoyl)carbamimidate
PubChem CID7264739
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Name2-ethoxyethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylbenzoyl)carbamimidate
SMILESCCOCCO/C(=N\CCc1ccc(OC)c(OC)c1)NC(=O)c1ccccc1C
InChIInChI=1S/C23H30N2O5/c1-5-29-14-15-30-23(25-22(26)19-9-7-6-8-17(19)2)24-13-12-18-10-11-20(27-3)21(16-18)28-4/h6-11,16H,5,12-15H2,1-4H3,(H,24,25,26)
InChIKeyZMMZQTNBUTVAIM-UHFFFAOYSA-N
XLogP3.39
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-methoxyethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-methylbenzoyl)carbamimidate
CID 3973914
ethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxybenzoyl)carbamimidate
CID 7419564
2-methylpropyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-carbonyl)carbamimidate
CID 7347954
2-ethoxyethyl N'-benzyl-N-(2-fluorobenzoyl)carbamimidate
CID 7261343
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-methylbenzamide
CID 27883593
1-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]-3-phenylurea
CID 129259360
ethyl 4-[N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111163451
N-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylbenzamide
CID 46434205
N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine
CID 10857049
N-[3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8528959
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
CID 111818931
benzyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate
CID 8773671

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylbenzoyl)carbamimidate?
The IUPAC name of 2-ethoxyethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylbenzoyl)carbamimidate (CID 7264739) is 2-ethoxyethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylbenzoyl)carbamimidate.
What is the SMILES notation for 2-ethoxyethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylbenzoyl)carbamimidate?
The canonical SMILES for 2-ethoxyethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylbenzoyl)carbamimidate is CCOCCO/C(=N\CCc1ccc(OC)c(OC)c1)NC(=O)c1ccccc1C.
What is the InChIKey of 2-ethoxyethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylbenzoyl)carbamimidate?
The InChIKey is ZMMZQTNBUTVAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-5-29-14-15-30-23(25-22(26)19-9-7-6-8-17(19)2)24-13-12-18-10-11-20(27-3)21(16-18)28-4/h6-11,16H,5,12-15H2,1-4H3,(H,24,25,26).
What are the key properties of 2-ethoxyethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylbenzoyl)carbamimidate?
2-ethoxyethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylbenzoyl)carbamimidate has a molecular weight of 414.50 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylbenzoyl)carbamimidate is sourced from PubChem (CID 7264739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).