(2Z)-2-(4-aminophenyl)-N-methyl-2-propan-2-yloxyiminoacetamide

C12H17N3O2 — CID 178129990

IUPAC(2Z)-2-(4-aminophenyl)-N-methyl-2-propan-2-yloxyiminoacetamide
SMILESCNC(=O)/C(=N\OC(C)C)c1ccc(N)cc1
InChIInChI=1S/C12H17N3O2/c1-8(2)17-15-11(12(16)14-3)9-4-6-10(13)7-5-9/h4-8H,13H2,1-3H3,(H,14,16)/b15-11-
InChIKeyDHVVRPVYPCGBKJ-PTNGSMBKSA-N
MW235.29 g/mol
LogP1.14
Rot. Bonds4

About (2Z)-2-(4-aminophenyl)-N-methyl-2-propan-2-yloxyiminoacetamide

(2Z)-2-(4-aminophenyl)-N-methyl-2-propan-2-yloxyiminoacetamide (PubChem CID 178129990) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (2Z)-2-(4-aminophenyl)-N-methyl-2-propan-2-yloxyiminoacetamide.

Molecular Properties

Compound Name(2Z)-2-(4-aminophenyl)-N-methyl-2-propan-2-yloxyiminoacetamide
PubChem CID178129990
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(2Z)-2-(4-aminophenyl)-N-methyl-2-propan-2-yloxyiminoacetamide
SMILESCNC(=O)/C(=N\OC(C)C)c1ccc(N)cc1
InChIInChI=1S/C12H17N3O2/c1-8(2)17-15-11(12(16)14-3)9-4-6-10(13)7-5-9/h4-8H,13H2,1-3H3,(H,14,16)/b15-11-
InChIKeyDHVVRPVYPCGBKJ-PTNGSMBKSA-N
XLogP1.14
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-amino-N-propan-2-ylbenzamide;ethane
CID 144913195
4-(4-aminophenyl)-N-methylbenzamide
CID 91665695
2-[4-(aminomethyl)phenyl]-2-hydroxyimino-N-methylacetamide
CID 174660188
4-(4-aminophenoxy)-N-methylbenzamide
CID 131636828
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 7781123
(3Z)-3-(4-cyclopropylsulfanylphenyl)-3-propan-2-yloxyiminoprop-1-en-2-amine
CID 143392597
methyl 4-[1-(4-aminophenyl)ethyl]benzoate
CID 175023577
4-amino-N-(4-propan-2-yloxyphenyl)benzamide
CID 28722589
[(4-aminophenyl)-(methylamino)methylidene]tungsten
CID 58496499
2-methylpropyl 4-aminobenzoate
CID 23616374
2-[[amino-(4-aminophenyl)methylidene]carbamoyloxy]ethyl (2S)-2,3-dimethylbutanoate
CID 158832773
4-amino-N-(3-ethylpentan-2-yl)benzamide
CID 55261321

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(4-aminophenyl)-N-methyl-2-propan-2-yloxyiminoacetamide?
The IUPAC name of (2Z)-2-(4-aminophenyl)-N-methyl-2-propan-2-yloxyiminoacetamide (CID 178129990) is (2Z)-2-(4-aminophenyl)-N-methyl-2-propan-2-yloxyiminoacetamide.
What is the SMILES notation for (2Z)-2-(4-aminophenyl)-N-methyl-2-propan-2-yloxyiminoacetamide?
The canonical SMILES for (2Z)-2-(4-aminophenyl)-N-methyl-2-propan-2-yloxyiminoacetamide is CNC(=O)/C(=N\OC(C)C)c1ccc(N)cc1.
What is the InChIKey of (2Z)-2-(4-aminophenyl)-N-methyl-2-propan-2-yloxyiminoacetamide?
The InChIKey is DHVVRPVYPCGBKJ-PTNGSMBKSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(2)17-15-11(12(16)14-3)9-4-6-10(13)7-5-9/h4-8H,13H2,1-3H3,(H,14,16)/b15-11-.
What are the key properties of (2Z)-2-(4-aminophenyl)-N-methyl-2-propan-2-yloxyiminoacetamide?
(2Z)-2-(4-aminophenyl)-N-methyl-2-propan-2-yloxyiminoacetamide has a molecular weight of 235.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(4-aminophenyl)-N-methyl-2-propan-2-yloxyiminoacetamide is sourced from PubChem (CID 178129990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).