N'-[(Z)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide

C19H20N4O4 — CID 8990162

IUPACN'-[(Z)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
SMILESC[C@@H](NC(=O)C(=O)N/N=C\c1ccccc1OCC(N)=O)c1ccccc1
InChIInChI=1S/C19H20N4O4/c1-13(14-7-3-2-4-8-14)22-18(25)19(26)23-21-11-15-9-5-6-10-16(15)27-12-17(20)24/h2-11,13H,12H2,1H3,(H2,20,24)(H,22,25)(H,23,26)/b21-11-/t13-/m1/s1
InChIKeyYHWNRTPTYSPASQ-PJICWNCHSA-N
MW368.39 g/mol
LogP0.88
Rot. Bonds7

About N'-[(Z)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide

N'-[(Z)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide (PubChem CID 8990162) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N'-[(Z)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN'-[(Z)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
PubChem CID8990162
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN'-[(Z)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
SMILESC[C@@H](NC(=O)C(=O)N/N=C\c1ccccc1OCC(N)=O)c1ccccc1
InChIInChI=1S/C19H20N4O4/c1-13(14-7-3-2-4-8-14)22-18(25)19(26)23-21-11-15-9-5-6-10-16(15)27-12-17(20)24/h2-11,13H,12H2,1H3,(H2,20,24)(H,22,25)(H,23,26)/b21-11-/t13-/m1/s1
InChIKeyYHWNRTPTYSPASQ-PJICWNCHSA-N
XLogP0.88
TPSA122.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze N'-[(Z)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8902115
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 135827951
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 3105356
N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 136802239
2-[(Z)-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 94847399
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'-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8931357
2-[2-ethoxy-4-[(Z)-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8990088
N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8932047
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 8901068
N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 94832391

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide?
The IUPAC name of N'-[(Z)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide (CID 8990162) is N'-[(Z)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide.
What is the SMILES notation for N'-[(Z)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide?
The canonical SMILES for N'-[(Z)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide is C[C@@H](NC(=O)C(=O)N/N=C\c1ccccc1OCC(N)=O)c1ccccc1.
What is the InChIKey of N'-[(Z)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide?
The InChIKey is YHWNRTPTYSPASQ-PJICWNCHSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-13(14-7-3-2-4-8-14)22-18(25)19(26)23-21-11-15-9-5-6-10-16(15)27-12-17(20)24/h2-11,13H,12H2,1H3,(H2,20,24)(H,22,25)(H,23,26)/b21-11-/t13-/m1/s1.
What are the key properties of N'-[(Z)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide?
N'-[(Z)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide has a molecular weight of 368.39 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide is sourced from PubChem (CID 8990162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).