2-ethoxyethyl N'-cyclopropyl-N-(4-methoxybenzoyl)carbamimidate

C16H22N2O4 — CID 7296512

IUPAC2-ethoxyethyl N'-cyclopropyl-N-(4-methoxybenzoyl)carbamimidate
SMILESCCOCCO/C(=N\C1CC1)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H22N2O4/c1-3-21-10-11-22-16(17-13-6-7-13)18-15(19)12-4-8-14(20-2)9-5-12/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,17,18,19)
InChIKeyGFZCJQULOWCHKC-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.00
Rot. Bonds7

About 2-ethoxyethyl N'-cyclopropyl-N-(4-methoxybenzoyl)carbamimidate

2-ethoxyethyl N'-cyclopropyl-N-(4-methoxybenzoyl)carbamimidate (PubChem CID 7296512) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-ethoxyethyl N'-cyclopropyl-N-(4-methoxybenzoyl)carbamimidate.

Molecular Properties

Compound Name2-ethoxyethyl N'-cyclopropyl-N-(4-methoxybenzoyl)carbamimidate
PubChem CID7296512
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name2-ethoxyethyl N'-cyclopropyl-N-(4-methoxybenzoyl)carbamimidate
SMILESCCOCCO/C(=N\C1CC1)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H22N2O4/c1-3-21-10-11-22-16(17-13-6-7-13)18-15(19)12-4-8-14(20-2)9-5-12/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,17,18,19)
InChIKeyGFZCJQULOWCHKC-UHFFFAOYSA-N
XLogP2.00
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.00
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

2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[[(2S)-oxolan-2-yl]methyl]carbamimidate
CID 7362580
3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium
CID 7271327
2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7296851
2-ethoxyethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate
CID 5145915
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'-(cyclopropylmethyl)-N-(3,4-dichlorobenzoyl)carbamimidate
CID 7283313
2-ethoxyethyl N'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate
CID 7416243
methyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate
CID 135591078
methyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate
CID 135474620
cis-2-ethoxyethyl (1S,2R)-2-hydroxy-2-(4-methoxybenzoyl)cyclohexane-1-carboxylate
CID 123656110
ethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxybenzoyl)carbamimidate
CID 7419564

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl N'-cyclopropyl-N-(4-methoxybenzoyl)carbamimidate?
The IUPAC name of 2-ethoxyethyl N'-cyclopropyl-N-(4-methoxybenzoyl)carbamimidate (CID 7296512) is 2-ethoxyethyl N'-cyclopropyl-N-(4-methoxybenzoyl)carbamimidate.
What is the SMILES notation for 2-ethoxyethyl N'-cyclopropyl-N-(4-methoxybenzoyl)carbamimidate?
The canonical SMILES for 2-ethoxyethyl N'-cyclopropyl-N-(4-methoxybenzoyl)carbamimidate is CCOCCO/C(=N\C1CC1)NC(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-ethoxyethyl N'-cyclopropyl-N-(4-methoxybenzoyl)carbamimidate?
The InChIKey is GFZCJQULOWCHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-21-10-11-22-16(17-13-6-7-13)18-15(19)12-4-8-14(20-2)9-5-12/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,17,18,19).
What are the key properties of 2-ethoxyethyl N'-cyclopropyl-N-(4-methoxybenzoyl)carbamimidate?
2-ethoxyethyl N'-cyclopropyl-N-(4-methoxybenzoyl)carbamimidate has a molecular weight of 306.36 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl N'-cyclopropyl-N-(4-methoxybenzoyl)carbamimidate is sourced from PubChem (CID 7296512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).