2-ethoxyethyl N'-(cyclopropylmethyl)-N-(3,4-dichlorobenzoyl)carbamimidate

C16H20Cl2N2O3 — CID 7283313

IUPAC2-ethoxyethyl N'-(cyclopropylmethyl)-N-(3,4-dichlorobenzoyl)carbamimidate
SMILESCCOCCO/C(=N\CC1CC1)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H20Cl2N2O3/c1-2-22-7-8-23-16(19-10-11-3-4-11)20-15(21)12-5-6-13(17)14(18)9-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,20,21)
InChIKeyJNRILPWAOHSEBR-UHFFFAOYSA-N
MW359.25 g/mol
LogP3.54
Rot. Bonds7

About 2-ethoxyethyl N'-(cyclopropylmethyl)-N-(3,4-dichlorobenzoyl)carbamimidate

2-ethoxyethyl N'-(cyclopropylmethyl)-N-(3,4-dichlorobenzoyl)carbamimidate (PubChem CID 7283313) has the molecular formula C16H20Cl2N2O3 and a molecular weight of 359.25 g/mol. Its IUPAC name is 2-ethoxyethyl N'-(cyclopropylmethyl)-N-(3,4-dichlorobenzoyl)carbamimidate.

Molecular Properties

Compound Name2-ethoxyethyl N'-(cyclopropylmethyl)-N-(3,4-dichlorobenzoyl)carbamimidate
PubChem CID7283313
Molecular FormulaC16H20Cl2N2O3
Molecular Weight359.25 g/mol
Exact Mass358.09
IUPAC Name2-ethoxyethyl N'-(cyclopropylmethyl)-N-(3,4-dichlorobenzoyl)carbamimidate
SMILESCCOCCO/C(=N\CC1CC1)NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H20Cl2N2O3/c1-2-22-7-8-23-16(19-10-11-3-4-11)20-15(21)12-5-6-13(17)14(18)9-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,20,21)
InChIKeyJNRILPWAOHSEBR-UHFFFAOYSA-N
XLogP3.54
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 53.54
H-Bond Donors ≤ 51
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

2-ethoxyethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate
CID 5145915
2-ethoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate
CID 7237354
2-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate
CID 7493286
ethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate
CID 7263415
methyl N-(3,4-dichlorobenzoyl)-N'-[[(2S)-oxolan-2-yl]methyl]carbamimidate
CID 7261503
2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[[(2S)-oxolan-2-yl]methyl]carbamimidate
CID 7362580
2-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-(3-phenylpropyl)carbamimidate
CID 46125593
2-ethoxyethyl N'-cyclopropyl-N-(4-methoxybenzoyl)carbamimidate
CID 7296512
propyl N-(3,4-dichlorobenzoyl)-N'-[(2R)-5-(diethylamino)pentan-2-yl]carbamimidate
CID 7418573
2-ethoxyethyl N'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate
CID 7416243
2-ethoxyethyl N-(4-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7296539
3,4-dichloro-N-[2-[[N'-(4-ethoxybutyl)-N-ethylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111943998

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl N'-(cyclopropylmethyl)-N-(3,4-dichlorobenzoyl)carbamimidate?
The IUPAC name of 2-ethoxyethyl N'-(cyclopropylmethyl)-N-(3,4-dichlorobenzoyl)carbamimidate (CID 7283313) is 2-ethoxyethyl N'-(cyclopropylmethyl)-N-(3,4-dichlorobenzoyl)carbamimidate.
What is the SMILES notation for 2-ethoxyethyl N'-(cyclopropylmethyl)-N-(3,4-dichlorobenzoyl)carbamimidate?
The canonical SMILES for 2-ethoxyethyl N'-(cyclopropylmethyl)-N-(3,4-dichlorobenzoyl)carbamimidate is CCOCCO/C(=N\CC1CC1)NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-ethoxyethyl N'-(cyclopropylmethyl)-N-(3,4-dichlorobenzoyl)carbamimidate?
The InChIKey is JNRILPWAOHSEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O3/c1-2-22-7-8-23-16(19-10-11-3-4-11)20-15(21)12-5-6-13(17)14(18)9-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,20,21).
What are the key properties of 2-ethoxyethyl N'-(cyclopropylmethyl)-N-(3,4-dichlorobenzoyl)carbamimidate?
2-ethoxyethyl N'-(cyclopropylmethyl)-N-(3,4-dichlorobenzoyl)carbamimidate has a molecular weight of 359.25 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl N'-(cyclopropylmethyl)-N-(3,4-dichlorobenzoyl)carbamimidate is sourced from PubChem (CID 7283313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).