3-amino-N-(2-chlorophenyl)-3-[2-(4-ethylanilino)-2-oxoethoxy]iminopropanamide

C19H21ClN4O3 — CID 78766823

IUPAC3-amino-N-(2-chlorophenyl)-3-[2-(4-ethylanilino)-2-oxoethoxy]iminopropanamide
SMILESCCc1ccc(NC(=O)CON=C(N)CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN4O3/c1-2-13-7-9-14(10-8-13)22-19(26)12-27-24-17(21)11-18(25)23-16-6-4-3-5-15(16)20/h3-10H,2,11-12H2,1H3,(H2,21,24)(H,22,26)(H,23,25)
InChIKeyYBZQBNZEXQOPEZ-UHFFFAOYSA-N
MW388.86 g/mol
LogP3.16
Rot. Bonds8

About 3-amino-N-(2-chlorophenyl)-3-[2-(4-ethylanilino)-2-oxoethoxy]iminopropanamide

3-amino-N-(2-chlorophenyl)-3-[2-(4-ethylanilino)-2-oxoethoxy]iminopropanamide (PubChem CID 78766823) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is 3-amino-N-(2-chlorophenyl)-3-[2-(4-ethylanilino)-2-oxoethoxy]iminopropanamide.

Molecular Properties

Compound Name3-amino-N-(2-chlorophenyl)-3-[2-(4-ethylanilino)-2-oxoethoxy]iminopropanamide
PubChem CID78766823
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name3-amino-N-(2-chlorophenyl)-3-[2-(4-ethylanilino)-2-oxoethoxy]iminopropanamide
SMILESCCc1ccc(NC(=O)CON=C(N)CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN4O3/c1-2-13-7-9-14(10-8-13)22-19(26)12-27-24-17(21)11-18(25)23-16-6-4-3-5-15(16)20/h3-10H,2,11-12H2,1H3,(H2,21,24)(H,22,26)(H,23,25)
InChIKeyYBZQBNZEXQOPEZ-UHFFFAOYSA-N
XLogP3.16
TPSA105.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-amino-N-(2-chlorophenyl)-3-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]iminopropanamide
CID 78766800
3-amino-N-(2-chlorophenyl)-3-[2-(3-fluoroanilino)-2-oxoethoxy]iminopropanamide
CID 78766839
(3E)-3-amino-N-(2-chlorophenyl)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]iminopropanamide
CID 78766801
(3E)-3-amino-N-(2-chlorophenyl)-3-[(3,5-dimethylphenyl)methoxyimino]propanamide
CID 78834897
2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide
CID 18292830
3-amino-N-(2-chlorophenyl)-3-(2-phenoxyethoxyimino)propanamide
CID 78766902
(3E)-3-amino-N-(2-chlorophenyl)-3-[2-(2,6-dimethylphenoxy)ethoxyimino]propanamide
CID 78766912
[2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608586
3-amino-3-[(2-chloro-6-fluorophenyl)methoxyimino]-N-(2-chlorophenyl)propanamide
CID 78766790
3-amino-N-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)methoxyimino]propanamide
CID 78766910
2-[[amino-[4-(dimethylamino)phenyl]methylidene]amino]oxy-N-(2-chlorophenyl)acetamide
CID 103598223
4-[[2-[(E)-[1-amino-2-(2-chlorophenyl)ethylidene]amino]oxyacetyl]amino]-N,N-dimethylbenzamide
CID 60603599

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chlorophenyl)-3-[2-(4-ethylanilino)-2-oxoethoxy]iminopropanamide?
The IUPAC name of 3-amino-N-(2-chlorophenyl)-3-[2-(4-ethylanilino)-2-oxoethoxy]iminopropanamide (CID 78766823) is 3-amino-N-(2-chlorophenyl)-3-[2-(4-ethylanilino)-2-oxoethoxy]iminopropanamide.
What is the SMILES notation for 3-amino-N-(2-chlorophenyl)-3-[2-(4-ethylanilino)-2-oxoethoxy]iminopropanamide?
The canonical SMILES for 3-amino-N-(2-chlorophenyl)-3-[2-(4-ethylanilino)-2-oxoethoxy]iminopropanamide is CCc1ccc(NC(=O)CON=C(N)CC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of 3-amino-N-(2-chlorophenyl)-3-[2-(4-ethylanilino)-2-oxoethoxy]iminopropanamide?
The InChIKey is YBZQBNZEXQOPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-2-13-7-9-14(10-8-13)22-19(26)12-27-24-17(21)11-18(25)23-16-6-4-3-5-15(16)20/h3-10H,2,11-12H2,1H3,(H2,21,24)(H,22,26)(H,23,25).
What are the key properties of 3-amino-N-(2-chlorophenyl)-3-[2-(4-ethylanilino)-2-oxoethoxy]iminopropanamide?
3-amino-N-(2-chlorophenyl)-3-[2-(4-ethylanilino)-2-oxoethoxy]iminopropanamide has a molecular weight of 388.86 g/mol, XLogP of 3.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chlorophenyl)-3-[2-(4-ethylanilino)-2-oxoethoxy]iminopropanamide is sourced from PubChem (CID 78766823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).