N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-(2-methylpropyl)oxamide

C15H21N3O2 — CID 40538842

IUPACN'-[(Z)-(4-ethylphenyl)methylideneamino]-N-(2-methylpropyl)oxamide
SMILESCCc1ccc(/C=N\NC(=O)C(=O)NCC(C)C)cc1
InChIInChI=1S/C15H21N3O2/c1-4-12-5-7-13(8-6-12)10-17-18-15(20)14(19)16-9-11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,16,19)(H,18,20)/b17-10-
InChIKeyPNGUCXPROMZCLV-YVLHZVERSA-N
MW275.35 g/mol
LogP1.47
Rot. Bonds5

About N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-(2-methylpropyl)oxamide

N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-(2-methylpropyl)oxamide (PubChem CID 40538842) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(4-ethylphenyl)methylideneamino]-N-(2-methylpropyl)oxamide
PubChem CID40538842
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN'-[(Z)-(4-ethylphenyl)methylideneamino]-N-(2-methylpropyl)oxamide
SMILESCCc1ccc(/C=N\NC(=O)C(=O)NCC(C)C)cc1
InChIInChI=1S/C15H21N3O2/c1-4-12-5-7-13(8-6-12)10-17-18-15(20)14(19)16-9-11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,16,19)(H,18,20)/b17-10-
InChIKeyPNGUCXPROMZCLV-YVLHZVERSA-N
XLogP1.47
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.47
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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Related Compounds

N-ethyl-N'-[(Z)-(4-ethylphenyl)methylideneamino]oxamide
CID 39388462
N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-propan-2-yloxamide
CID 40538841
N'-[(E)-(4-butoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 21212792
N-(2-methylpropyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989326
N'-[(Z)-[4-[2-(4-ethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 126165343
N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-(2-morpholin-4-ylethyl)oxamide
CID 94848692
N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide
CID 3314148
N'-[(2,6-dichlorophenyl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 4270440
N'-[(Z)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 8902517
N-(2-methylpropyl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide
CID 5333361
5-[(Z)-[[2-(2-methylpropylamino)-2-oxoacetyl]hydrazinylidene]methyl]-2-phenylmethoxybenzoic acid
CID 8898148
N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 8990262

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-(2-methylpropyl)oxamide?
The IUPAC name of N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-(2-methylpropyl)oxamide (CID 40538842) is N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-(2-methylpropyl)oxamide is CCc1ccc(/C=N\NC(=O)C(=O)NCC(C)C)cc1.
What is the InChIKey of N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-(2-methylpropyl)oxamide?
The InChIKey is PNGUCXPROMZCLV-YVLHZVERSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-12-5-7-13(8-6-12)10-17-18-15(20)14(19)16-9-11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,16,19)(H,18,20)/b17-10-.
What are the key properties of N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-(2-methylpropyl)oxamide?
N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-(2-methylpropyl)oxamide has a molecular weight of 275.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-(2-methylpropyl)oxamide is sourced from PubChem (CID 40538842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).