2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methoxyiminoacetamide

C20H23ClN2O4 — CID 73193276

IUPAC2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methoxyiminoacetamide
SMILESCCOc1ccc(CCNC(=O)C(=NOC)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H23ClN2O4/c1-4-27-17-10-5-14(13-18(17)25-2)11-12-22-20(24)19(23-26-3)15-6-8-16(21)9-7-15/h5-10,13H,4,11-12H2,1-3H3,(H,22,24)
InChIKeyVCZQERNIRNCNLH-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.46
Rot. Bonds9

About 2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methoxyiminoacetamide

2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methoxyiminoacetamide (PubChem CID 73193276) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methoxyiminoacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methoxyiminoacetamide
PubChem CID73193276
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methoxyiminoacetamide
SMILESCCOc1ccc(CCNC(=O)C(=NOC)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H23ClN2O4/c1-4-27-17-10-5-14(13-18(17)25-2)11-12-22-20(24)19(23-26-3)15-6-8-16(21)9-7-15/h5-10,13H,4,11-12H2,1-3H3,(H,22,24)
InChIKeyVCZQERNIRNCNLH-UHFFFAOYSA-N
XLogP3.46
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,3-dichloro-2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]prop-2-enamide
CID 59105437
2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-iodoiminoacetamide
CID 154039597
2-methoxyimino-N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 72650224
2-(4-bromophenyl)-2-(4-chlorophenyl)imino-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10864039
2-methoxyimino-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 72650250
(2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyimino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 15906537
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
(E)-2-(3,4-dichlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]pent-2-enamide
CID 58819042
1-(5-chloro-2-methylphenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891555
1-(3-chloropropyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891565
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 16574764

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methoxyiminoacetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methoxyiminoacetamide (CID 73193276) is 2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methoxyiminoacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methoxyiminoacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methoxyiminoacetamide is CCOc1ccc(CCNC(=O)C(=NOC)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methoxyiminoacetamide?
The InChIKey is VCZQERNIRNCNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-4-27-17-10-5-14(13-18(17)25-2)11-12-22-20(24)19(23-26-3)15-6-8-16(21)9-7-15/h5-10,13H,4,11-12H2,1-3H3,(H,22,24).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methoxyiminoacetamide?
2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methoxyiminoacetamide has a molecular weight of 390.87 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methoxyiminoacetamide is sourced from PubChem (CID 73193276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).