2-ethoxyethyl N-(3-methoxybenzoyl)-N'-(3-methylbutyl)carbamimidate

C18H28N2O4 — CID 7338069

IUPAC2-ethoxyethyl N-(3-methoxybenzoyl)-N'-(3-methylbutyl)carbamimidate
SMILESCCOCCO/C(=N\CCC(C)C)NC(=O)c1cccc(OC)c1
InChIInChI=1S/C18H28N2O4/c1-5-23-11-12-24-18(19-10-9-14(2)3)20-17(21)15-7-6-8-16(13-15)22-4/h6-8,13-14H,5,9-12H2,1-4H3,(H,19,20,21)
InChIKeyJXJIYODFAYOCJK-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.88
Rot. Bonds9

About 2-ethoxyethyl N-(3-methoxybenzoyl)-N'-(3-methylbutyl)carbamimidate

2-ethoxyethyl N-(3-methoxybenzoyl)-N'-(3-methylbutyl)carbamimidate (PubChem CID 7338069) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-ethoxyethyl N-(3-methoxybenzoyl)-N'-(3-methylbutyl)carbamimidate.

Molecular Properties

Compound Name2-ethoxyethyl N-(3-methoxybenzoyl)-N'-(3-methylbutyl)carbamimidate
PubChem CID7338069
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name2-ethoxyethyl N-(3-methoxybenzoyl)-N'-(3-methylbutyl)carbamimidate
SMILESCCOCCO/C(=N\CCC(C)C)NC(=O)c1cccc(OC)c1
InChIInChI=1S/C18H28N2O4/c1-5-23-11-12-24-18(19-10-9-14(2)3)20-17(21)15-7-6-8-16(13-15)22-4/h6-8,13-14H,5,9-12H2,1-4H3,(H,19,20,21)
InChIKeyJXJIYODFAYOCJK-UHFFFAOYSA-N
XLogP2.88
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
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'}

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Related Compounds

ethyl N-(3-methoxybenzoyl)-N'-(2-methoxyethyl)carbamimidate
CID 7413412
ethyl N-(3-methoxybenzoyl)-N'-(2-pyrrolidin-1-ium-1-ylethyl)carbamimidate
CID 7364918
2-methoxyethyl N-(3-methoxybenzoyl)-N'-(2-piperidin-1-ylethyl)carbamimidate
CID 7338693
3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium
CID 7271327
2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7296851
ethyl N-(3-methoxybenzoyl)-N'-(pyridin-3-ylmethyl)carbamimidate
CID 7212555
2-ethoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate
CID 7237354
propan-2-yl N'-[3-(dimethylamino)propyl]-N-(3-methoxybenzoyl)carbamimidate
CID 7328749
2-ethoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(3-fluorobenzoyl)carbamimidate
CID 7349979
propan-2-yl N-(3-methoxybenzoyl)-N'-[(2S)-3-methylbutan-2-yl]carbamimidate
CID 7288574
3-(2-ethoxyethoxy)-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17139676
2-ethoxyethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylbenzoyl)carbamimidate
CID 7264739

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl N-(3-methoxybenzoyl)-N'-(3-methylbutyl)carbamimidate?
The IUPAC name of 2-ethoxyethyl N-(3-methoxybenzoyl)-N'-(3-methylbutyl)carbamimidate (CID 7338069) is 2-ethoxyethyl N-(3-methoxybenzoyl)-N'-(3-methylbutyl)carbamimidate.
What is the SMILES notation for 2-ethoxyethyl N-(3-methoxybenzoyl)-N'-(3-methylbutyl)carbamimidate?
The canonical SMILES for 2-ethoxyethyl N-(3-methoxybenzoyl)-N'-(3-methylbutyl)carbamimidate is CCOCCO/C(=N\CCC(C)C)NC(=O)c1cccc(OC)c1.
What is the InChIKey of 2-ethoxyethyl N-(3-methoxybenzoyl)-N'-(3-methylbutyl)carbamimidate?
The InChIKey is JXJIYODFAYOCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-5-23-11-12-24-18(19-10-9-14(2)3)20-17(21)15-7-6-8-16(13-15)22-4/h6-8,13-14H,5,9-12H2,1-4H3,(H,19,20,21).
What are the key properties of 2-ethoxyethyl N-(3-methoxybenzoyl)-N'-(3-methylbutyl)carbamimidate?
2-ethoxyethyl N-(3-methoxybenzoyl)-N'-(3-methylbutyl)carbamimidate has a molecular weight of 336.43 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl N-(3-methoxybenzoyl)-N'-(3-methylbutyl)carbamimidate is sourced from PubChem (CID 7338069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).