N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-prop-2-enyloxamide

C16H21N3O2 — CID 21212825

IUPACN'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H21N3O2/c1-5-10-17-14(20)15(21)19-18-11-12-6-8-13(9-7-12)16(2,3)4/h5-9,11H,1,10H2,2-4H3,(H,17,20)(H,19,21)/b18-11+
InChIKeyNLAIMPMKHYEWCH-WOJGMQOQSA-N
MW287.36 g/mol
LogP1.74
Rot. Bonds4

About N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-prop-2-enyloxamide

N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-prop-2-enyloxamide (PubChem CID 21212825) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-prop-2-enyloxamide
PubChem CID21212825
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H21N3O2/c1-5-10-17-14(20)15(21)19-18-11-12-6-8-13(9-7-12)16(2,3)4/h5-9,11H,1,10H2,2-4H3,(H,17,20)(H,19,21)/b18-11+
InChIKeyNLAIMPMKHYEWCH-WOJGMQOQSA-N
XLogP1.74
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.74
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8900453
N'-[(E)-(3-bromophenyl)methylideneamino]-N-prop-2-enyloxamide
CID 5339201
N'-[(3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 2244283
N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 3102421
methyl 4-[[2-[(2Z)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate
CID 133240897
N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8931683
N'-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8931811
N-propyl-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 126006156
N'-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8901516
N'-[(4-methylphenyl)methylideneamino]-N-prop-2-enylpropanediamide
CID 4161729
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(4-tert-butylphenyl)methylideneamino]oxamide
CID 3126769
N'-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8988943

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-prop-2-enyloxamide?
The IUPAC name of N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-prop-2-enyloxamide (CID 21212825) is N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-prop-2-enyloxamide?
The InChIKey is NLAIMPMKHYEWCH-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-10-17-14(20)15(21)19-18-11-12-6-8-13(9-7-12)16(2,3)4/h5-9,11H,1,10H2,2-4H3,(H,17,20)(H,19,21)/b18-11+.
What are the key properties of N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-prop-2-enyloxamide?
N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-prop-2-enyloxamide has a molecular weight of 287.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-prop-2-enyloxamide is sourced from PubChem (CID 21212825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).