N-(4-aminophenyl)-N-methyl-2-pentan-2-yloxyacetamide

C14H22N2O2 — CID 102980773

IUPACN-(4-aminophenyl)-N-methyl-2-pentan-2-yloxyacetamide
SMILESCCCC(C)OCC(=O)N(C)c1ccc(N)cc1
InChIInChI=1S/C14H22N2O2/c1-4-5-11(2)18-10-14(17)16(3)13-8-6-12(15)7-9-13/h6-9,11H,4-5,10,15H2,1-3H3
InChIKeyGUTUQSYDTUVNKO-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.44
Rot. Bonds6

About N-(4-aminophenyl)-N-methyl-2-pentan-2-yloxyacetamide

N-(4-aminophenyl)-N-methyl-2-pentan-2-yloxyacetamide (PubChem CID 102980773) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-methyl-2-pentan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-methyl-2-pentan-2-yloxyacetamide
PubChem CID102980773
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(4-aminophenyl)-N-methyl-2-pentan-2-yloxyacetamide
SMILESCCCC(C)OCC(=O)N(C)c1ccc(N)cc1
InChIInChI=1S/C14H22N2O2/c1-4-5-11(2)18-10-14(17)16(3)13-8-6-12(15)7-9-13/h6-9,11H,4-5,10,15H2,1-3H3
InChIKeyGUTUQSYDTUVNKO-UHFFFAOYSA-N
XLogP2.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide
CID 43375942
N-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide
CID 43375898
N-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide
CID 43376419
N-(4-aminophenyl)-2-(3,5-dimethylphenoxy)-N-methylacetamide
CID 43376460
N-(4-aminophenyl)-N,2-dimethylbutanamide
CID 43114423
N-(4-aminophenyl)-N-methyl-2-propan-2-ylsulfinylacetamide
CID 61289454
N-(4-aminophenyl)-2-(4-fluorophenoxy)-N-methylacetamide
CID 43376484
N-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide
CID 43376432
N-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide
CID 43627611
N-(4-aminophenyl)-2-(3,5-dichlorophenoxy)-N-methylacetamide
CID 43621859
N-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide
CID 23506938
2-(4-aminophenyl)-N-methyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119807717

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-methyl-2-pentan-2-yloxyacetamide?
The IUPAC name of N-(4-aminophenyl)-N-methyl-2-pentan-2-yloxyacetamide (CID 102980773) is N-(4-aminophenyl)-N-methyl-2-pentan-2-yloxyacetamide.
What is the SMILES notation for N-(4-aminophenyl)-N-methyl-2-pentan-2-yloxyacetamide?
The canonical SMILES for N-(4-aminophenyl)-N-methyl-2-pentan-2-yloxyacetamide is CCCC(C)OCC(=O)N(C)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-methyl-2-pentan-2-yloxyacetamide?
The InChIKey is GUTUQSYDTUVNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-5-11(2)18-10-14(17)16(3)13-8-6-12(15)7-9-13/h6-9,11H,4-5,10,15H2,1-3H3.
What are the key properties of N-(4-aminophenyl)-N-methyl-2-pentan-2-yloxyacetamide?
N-(4-aminophenyl)-N-methyl-2-pentan-2-yloxyacetamide has a molecular weight of 250.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-methyl-2-pentan-2-yloxyacetamide is sourced from PubChem (CID 102980773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).