N-(2-hydroxyethyl)-N'-[(Z)-[4-oxo-4-(2-phenylethylamino)butan-2-ylidene]amino]oxamide

C16H22N4O4 — CID 92540253

IUPACN-(2-hydroxyethyl)-N'-[(Z)-[4-oxo-4-(2-phenylethylamino)butan-2-ylidene]amino]oxamide
SMILESC/C(CC(=O)NCCc1ccccc1)=N/NC(=O)C(=O)NCCO
InChIInChI=1S/C16H22N4O4/c1-12(19-20-16(24)15(23)18-9-10-21)11-14(22)17-8-7-13-5-3-2-4-6-13/h2-6,21H,7-11H2,1H3,(H,17,22)(H,18,23)(H,20,24)/b19-12-
InChIKeyIZHZWXSASIDPHF-UNOMPAQXSA-N
MW334.38 g/mol
LogP-0.66
Rot. Bonds8

About N-(2-hydroxyethyl)-N'-[(Z)-[4-oxo-4-(2-phenylethylamino)butan-2-ylidene]amino]oxamide

N-(2-hydroxyethyl)-N'-[(Z)-[4-oxo-4-(2-phenylethylamino)butan-2-ylidene]amino]oxamide (PubChem CID 92540253) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N'-[(Z)-[4-oxo-4-(2-phenylethylamino)butan-2-ylidene]amino]oxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N'-[(Z)-[4-oxo-4-(2-phenylethylamino)butan-2-ylidene]amino]oxamide
PubChem CID92540253
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC NameN-(2-hydroxyethyl)-N'-[(Z)-[4-oxo-4-(2-phenylethylamino)butan-2-ylidene]amino]oxamide
SMILESC/C(CC(=O)NCCc1ccccc1)=N/NC(=O)C(=O)NCCO
InChIInChI=1S/C16H22N4O4/c1-12(19-20-16(24)15(23)18-9-10-21)11-14(22)17-8-7-13-5-3-2-4-6-13/h2-6,21H,7-11H2,1H3,(H,17,22)(H,18,23)(H,20,24)/b19-12-
InChIKeyIZHZWXSASIDPHF-UNOMPAQXSA-N
XLogP-0.66
TPSA119.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
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'}

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Related Compounds

4-bromo-N-[(Z)-[4-oxo-4-(2-phenylethylamino)butan-2-ylidene]amino]benzamide
CID 6382480
N-(2-hydroxyethyl)-N'-[[4-(3-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 4672582
N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-prop-2-enyloxamide
CID 94833681
1-(2-hydroxyethyl)-3-(2-phenylethyl)thiourea
CID 2166227
methyl 3-oxo-3-(2-phenylethylamino)propanoate
CID 15006667
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
N'-(benzylideneamino)-N-(2-phenylethyl)propanediamide
CID 3102448
N'-[(E)-[4-(2-bromoanilino)-4-oxobutan-2-ylidene]amino]-N-(2-methoxyethyl)oxamide
CID 46501572
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
N-(2-phenylethyl)-N'-prop-2-enyloxamide
CID 2058117
1-(2-phenylethyl)-3-prop-1-en-2-ylurea
CID 108910178
2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide
CID 110930238

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N'-[(Z)-[4-oxo-4-(2-phenylethylamino)butan-2-ylidene]amino]oxamide?
The IUPAC name of N-(2-hydroxyethyl)-N'-[(Z)-[4-oxo-4-(2-phenylethylamino)butan-2-ylidene]amino]oxamide (CID 92540253) is N-(2-hydroxyethyl)-N'-[(Z)-[4-oxo-4-(2-phenylethylamino)butan-2-ylidene]amino]oxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N'-[(Z)-[4-oxo-4-(2-phenylethylamino)butan-2-ylidene]amino]oxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N'-[(Z)-[4-oxo-4-(2-phenylethylamino)butan-2-ylidene]amino]oxamide is C/C(CC(=O)NCCc1ccccc1)=N/NC(=O)C(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-N'-[(Z)-[4-oxo-4-(2-phenylethylamino)butan-2-ylidene]amino]oxamide?
The InChIKey is IZHZWXSASIDPHF-UNOMPAQXSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-12(19-20-16(24)15(23)18-9-10-21)11-14(22)17-8-7-13-5-3-2-4-6-13/h2-6,21H,7-11H2,1H3,(H,17,22)(H,18,23)(H,20,24)/b19-12-.
What are the key properties of N-(2-hydroxyethyl)-N'-[(Z)-[4-oxo-4-(2-phenylethylamino)butan-2-ylidene]amino]oxamide?
N-(2-hydroxyethyl)-N'-[(Z)-[4-oxo-4-(2-phenylethylamino)butan-2-ylidene]amino]oxamide has a molecular weight of 334.38 g/mol, XLogP of -0.66, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N'-[(Z)-[4-oxo-4-(2-phenylethylamino)butan-2-ylidene]amino]oxamide is sourced from PubChem (CID 92540253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).