N',N'-diethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide

C16H23N3O2 — CID 6391153

IUPACN',N'-diethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide
SMILESCCN(CC)C(=O)C(=O)N/N=C\c1ccc(C(C)C)cc1
InChIInChI=1S/C16H23N3O2/c1-5-19(6-2)16(21)15(20)18-17-11-13-7-9-14(10-8-13)12(3)4/h7-12H,5-6H2,1-4H3,(H,18,20)/b17-11-
InChIKeyBFCCUIGFAXXOQF-BOPFTXTBSA-N
MW289.38 g/mol
LogP2.13
Rot. Bonds5

About N',N'-diethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide

N',N'-diethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide (PubChem CID 6391153) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N',N'-diethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN',N'-diethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide
PubChem CID6391153
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN',N'-diethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide
SMILESCCN(CC)C(=O)C(=O)N/N=C\c1ccc(C(C)C)cc1
InChIInChI=1S/C16H23N3O2/c1-5-19(6-2)16(21)15(20)18-17-11-13-7-9-14(10-8-13)12(3)4/h7-12H,5-6H2,1-4H3,(H,18,20)/b17-11-
InChIKeyBFCCUIGFAXXOQF-BOPFTXTBSA-N
XLogP2.13
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
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',N'-diethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 136801991
N',N'-diethyl-N-[(4-methoxyphenyl)methylideneamino]oxamide
CID 5115674
N',N'-diethyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6378231
ethyl N-[(4-propan-2-ylphenyl)methylideneamino]carbamate
CID 5007900
ethyl N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]carbamate
CID 6246560
2-oxo-N-[(4-propan-2-ylphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide
CID 2244317
N-(3,5-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 4123133
N-(2-chlorophenyl)-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 46741746
1,2,3-tris[(4-propan-2-ylphenyl)methylideneamino]guanidine;hydrochloride
CID 139267628
N',N'-diethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide
CID 94846890
[(E)-(4-propan-2-ylphenyl)methylideneamino]thiourea
CID 6474556
1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5418172

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide?
The IUPAC name of N',N'-diethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide (CID 6391153) is N',N'-diethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide.
What is the SMILES notation for N',N'-diethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide?
The canonical SMILES for N',N'-diethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide is CCN(CC)C(=O)C(=O)N/N=C\c1ccc(C(C)C)cc1.
What is the InChIKey of N',N'-diethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide?
The InChIKey is BFCCUIGFAXXOQF-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-19(6-2)16(21)15(20)18-17-11-13-7-9-14(10-8-13)12(3)4/h7-12H,5-6H2,1-4H3,(H,18,20)/b17-11-.
What are the key properties of N',N'-diethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide?
N',N'-diethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide has a molecular weight of 289.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide is sourced from PubChem (CID 6391153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).