N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-(1-phenylethyl)oxamide

C20H23N3O2 — CID 6387008

IUPACN'-[(Z)-4-phenylbutan-2-ylideneamino]-N-(1-phenylethyl)oxamide
SMILESC/C(CCc1ccccc1)=N/NC(=O)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-15(13-14-17-9-5-3-6-10-17)22-23-20(25)19(24)21-16(2)18-11-7-4-8-12-18/h3-12,16H,13-14H2,1-2H3,(H,21,24)(H,23,25)/b22-15-
InChIKeyCFFXCPKJNPUSFO-JCMHNJIXSA-N
MW337.42 g/mol
LogP2.99
Rot. Bonds6

About N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-(1-phenylethyl)oxamide

N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-(1-phenylethyl)oxamide (PubChem CID 6387008) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-4-phenylbutan-2-ylideneamino]-N-(1-phenylethyl)oxamide
PubChem CID6387008
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN'-[(Z)-4-phenylbutan-2-ylideneamino]-N-(1-phenylethyl)oxamide
SMILESC/C(CCc1ccccc1)=N/NC(=O)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-15(13-14-17-9-5-3-6-10-17)22-23-20(25)19(24)21-16(2)18-11-7-4-8-12-18/h3-12,16H,13-14H2,1-2H3,(H,21,24)(H,23,25)/b22-15-
InChIKeyCFFXCPKJNPUSFO-JCMHNJIXSA-N
XLogP2.99
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-(1-phenylethyl)oxamide?
The IUPAC name of N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-(1-phenylethyl)oxamide (CID 6387008) is N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-(1-phenylethyl)oxamide.
What is the SMILES notation for N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-(1-phenylethyl)oxamide?
The canonical SMILES for N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-(1-phenylethyl)oxamide is C/C(CCc1ccccc1)=N/NC(=O)C(=O)NC(C)c1ccccc1.
What is the InChIKey of N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-(1-phenylethyl)oxamide?
The InChIKey is CFFXCPKJNPUSFO-JCMHNJIXSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15(13-14-17-9-5-3-6-10-17)22-23-20(25)19(24)21-16(2)18-11-7-4-8-12-18/h3-12,16H,13-14H2,1-2H3,(H,21,24)(H,23,25)/b22-15-.
What are the key properties of N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-(1-phenylethyl)oxamide?
N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-(1-phenylethyl)oxamide has a molecular weight of 337.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-(1-phenylethyl)oxamide is sourced from PubChem (CID 6387008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).