N-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C12H18N2O2 — CID 28995366

IUPACN-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C12H18N2O2/c1-12(2,3)16-8-11(15)14-10-6-4-5-9(13)7-10/h4-7H,8,13H2,1-3H3,(H,14,15)
InChIKeyDJQUXRMLJUQRBX-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.02
Rot. Bonds3

About N-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 28995366) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID28995366
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C12H18N2O2/c1-12(2,3)16-8-11(15)14-10-6-4-5-9(13)7-10/h4-7H,8,13H2,1-3H3,(H,14,15)
InChIKeyDJQUXRMLJUQRBX-UHFFFAOYSA-N
XLogP2.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604930
N-(3-aminophenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide
CID 28995330
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
N-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 29002289
N-(3-formylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106912441
[2-(3-aminoanilino)-2-oxoethyl] 2,2,2-trifluoroacetate
CID 129217279
N-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 28995368
methyl 4-(3-aminoanilino)-2,2-dimethyl-4-oxobutanoate
CID 13456459
N-[3-[1-(methylamino)ethyl]phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602422
tert-butyl 2-[2-(3-aminoanilino)-2-oxoethyl]sulfanylacetate
CID 116686812
N-(3-aminophenyl)-2-tert-butylsulfinylacetamide
CID 61304416
N-(3-aminophenyl)-2-naphthalen-2-yloxyacetamide
CID 16788601

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 28995366) is N-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is DJQUXRMLJUQRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,3)16-8-11(15)14-10-6-4-5-9(13)7-10/h4-7H,8,13H2,1-3H3,(H,14,15).
What are the key properties of N-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 222.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 28995366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).