N'-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide

C19H20ClN3O3 — CID 8931357

IUPACN'-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
SMILESCCOc1ccc(Cl)cc1/C=N\NC(=O)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C19H20ClN3O3/c1-3-26-17-10-9-16(20)11-15(17)12-21-23-19(25)18(24)22-13(2)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,22,24)(H,23,25)/b21-12-/t13-/m0/s1
InChIKeyAWPWYNCBELPIAB-KUARTLJMSA-N
MW373.84 g/mol
LogP3.07
Rot. Bonds6

About N'-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide

N'-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide (PubChem CID 8931357) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N'-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN'-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
PubChem CID8931357
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN'-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
SMILESCCOc1ccc(Cl)cc1/C=N\NC(=O)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C19H20ClN3O3/c1-3-26-17-10-9-16(20)11-15(17)12-21-23-19(25)18(24)22-13(2)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,22,24)(H,23,25)/b21-12-/t13-/m0/s1
InChIKeyAWPWYNCBELPIAB-KUARTLJMSA-N
XLogP3.07
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8931482
N'-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 8931487
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 135821297
N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8932047
N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 4116439
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 8901068
N-[(1S)-3-[(2Z)-2-[(5-chloro-2-ethoxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylpropyl]benzamide
CID 126011325
2-ethoxy-5-[(Z)-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]acetyl]hydrazinylidene]methyl]benzoate
CID 8897754
N'-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8900767
2-[2-ethoxy-4-[(Z)-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8990088
[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea
CID 5426098
2-anilino-N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]acetamide
CID 126382035

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide?
The IUPAC name of N'-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide (CID 8931357) is N'-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide.
What is the SMILES notation for N'-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide?
The canonical SMILES for N'-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide is CCOc1ccc(Cl)cc1/C=N\NC(=O)C(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of N'-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide?
The InChIKey is AWPWYNCBELPIAB-KUARTLJMSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-3-26-17-10-9-16(20)11-15(17)12-21-23-19(25)18(24)22-13(2)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,22,24)(H,23,25)/b21-12-/t13-/m0/s1.
What are the key properties of N'-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide?
N'-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide has a molecular weight of 373.84 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide is sourced from PubChem (CID 8931357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).