2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate

C21H26N2O4 — CID 7296851

IUPAC2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
SMILESCCOCCO/C(=N\[C@@H](C)c1ccccc1)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C21H26N2O4/c1-4-26-14-15-27-21(22-16(2)17-8-6-5-7-9-17)23-20(24)18-10-12-19(25-3)13-11-18/h5-13,16H,4,14-15H2,1-3H3,(H,22,23,24)/t16-/m0/s1
InChIKeyXYYJBSLMAPZJSK-INIZCTEOSA-N
MW370.45 g/mol
LogP3.60
Rot. Bonds8

About 2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate

2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate (PubChem CID 7296851) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate.

Molecular Properties

Compound Name2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
PubChem CID7296851
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
SMILESCCOCCO/C(=N\[C@@H](C)c1ccccc1)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C21H26N2O4/c1-4-26-14-15-27-21(22-16(2)17-8-6-5-7-9-17)23-20(24)18-10-12-19(25-3)13-11-18/h5-13,16H,4,14-15H2,1-3H3,(H,22,23,24)/t16-/m0/s1
InChIKeyXYYJBSLMAPZJSK-INIZCTEOSA-N
XLogP3.60
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.60
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-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7296539
2-ethoxyethyl N'-cyclopropyl-N-(4-methoxybenzoyl)carbamimidate
CID 7296512
3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium
CID 7271327
2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[[(2S)-oxolan-2-yl]methyl]carbamimidate
CID 7362580
2-ethoxyethyl N'-butan-2-yl-N-[4-(trifluoromethyl)benzoyl]carbamimidate
CID 42665456
2-ethoxyethyl N'-(cyclopropylmethyl)-N-(4-methylbenzoyl)carbamimidate
CID 5145915
ethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxybenzoyl)carbamimidate
CID 7419564
N-(2-chloro-2-phenylethyl)-4-methoxybenzamide
CID 114296068
4-(2-ethoxyethoxy)-N-(phenylcarbamothioyl)benzamide
CID 17112844
2-methoxyethyl N-(4-methoxybenzoyl)-N'-(2-pyrrolidin-1-ium-1-ylethyl)carbamimidate
CID 7226715
2-ethoxyethyl N'-butyl-N-[4-(trifluoromethyl)benzoyl]carbamimidate
CID 7416243
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate?
The IUPAC name of 2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate (CID 7296851) is 2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate.
What is the SMILES notation for 2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate?
The canonical SMILES for 2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate is CCOCCO/C(=N\[C@@H](C)c1ccccc1)NC(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate?
The InChIKey is XYYJBSLMAPZJSK-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-4-26-14-15-27-21(22-16(2)17-8-6-5-7-9-17)23-20(24)18-10-12-19(25-3)13-11-18/h5-13,16H,4,14-15H2,1-3H3,(H,22,23,24)/t16-/m0/s1.
What are the key properties of 2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate?
2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate has a molecular weight of 370.45 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate is sourced from PubChem (CID 7296851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).