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

C21H26N2O5 — CID 7419564

IUPACethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxybenzoyl)carbamimidate
SMILESCCO/C(=N\CCc1ccc(OC)c(OC)c1)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C21H26N2O5/c1-5-28-21(23-20(24)16-7-9-17(25-2)10-8-16)22-13-12-15-6-11-18(26-3)19(14-15)27-4/h6-11,14H,5,12-13H2,1-4H3,(H,22,23,24)
InChIKeyJXRFBHZRAXCINE-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.08
Rot. Bonds8

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

ethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxybenzoyl)carbamimidate (PubChem CID 7419564) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is ethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxybenzoyl)carbamimidate.

Molecular Properties

Compound Nameethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxybenzoyl)carbamimidate
PubChem CID7419564
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Nameethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxybenzoyl)carbamimidate
SMILESCCO/C(=N\CCc1ccc(OC)c(OC)c1)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C21H26N2O5/c1-5-28-21(23-20(24)16-7-9-17(25-2)10-8-16)22-13-12-15-6-11-18(26-3)19(14-15)27-4/h6-11,14H,5,12-13H2,1-4H3,(H,22,23,24)
InChIKeyJXRFBHZRAXCINE-UHFFFAOYSA-N
XLogP3.08
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxyethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-methylbenzoyl)carbamimidate
CID 3973914
2-ethoxyethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylbenzoyl)carbamimidate
CID 7264739
2-methylpropyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-carbonyl)carbamimidate
CID 7347954
3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium
CID 7271327
4-methoxy-N-[N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]benzamide
CID 22149264
ethyl N-(3-methoxybenzoyl)-N'-(2-methoxyethyl)carbamimidate
CID 7413412
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111170026
ethyl 4-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)butanoate
CID 139755325
ethyl N'-butyl-N-(4-methylbenzoyl)carbamimidate
CID 4035465
ethyl N-(4-fluorobenzoyl)-N'-propylcarbamimidate
CID 3880683
1-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111024092
N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine
CID 10857049

Frequently Asked Questions

What is the IUPAC name of ethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxybenzoyl)carbamimidate?
The IUPAC name of ethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxybenzoyl)carbamimidate (CID 7419564) is ethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxybenzoyl)carbamimidate.
What is the SMILES notation for ethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxybenzoyl)carbamimidate?
The canonical SMILES for ethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxybenzoyl)carbamimidate is CCO/C(=N\CCc1ccc(OC)c(OC)c1)NC(=O)c1ccc(OC)cc1.
What is the InChIKey of ethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxybenzoyl)carbamimidate?
The InChIKey is JXRFBHZRAXCINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-5-28-21(23-20(24)16-7-9-17(25-2)10-8-16)22-13-12-15-6-11-18(26-3)19(14-15)27-4/h6-11,14H,5,12-13H2,1-4H3,(H,22,23,24).
What are the key properties of ethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxybenzoyl)carbamimidate?
ethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxybenzoyl)carbamimidate has a molecular weight of 386.45 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxybenzoyl)carbamimidate is sourced from PubChem (CID 7419564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).