N-(4-aminophenyl)-2-(1-ethoxypropan-2-yloxy)acetamide

C13H20N2O3 — CID 103486889

IUPACN-(4-aminophenyl)-2-(1-ethoxypropan-2-yloxy)acetamide
SMILESCCOCC(C)OCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C13H20N2O3/c1-3-17-8-10(2)18-9-13(16)15-12-6-4-11(14)5-7-12/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyMZVMPZYMNIUARB-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.65
Rot. Bonds7

About N-(4-aminophenyl)-2-(1-ethoxypropan-2-yloxy)acetamide

N-(4-aminophenyl)-2-(1-ethoxypropan-2-yloxy)acetamide (PubChem CID 103486889) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(1-ethoxypropan-2-yloxy)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(1-ethoxypropan-2-yloxy)acetamide
PubChem CID103486889
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(4-aminophenyl)-2-(1-ethoxypropan-2-yloxy)acetamide
SMILESCCOCC(C)OCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C13H20N2O3/c1-3-17-8-10(2)18-9-13(16)15-12-6-4-11(14)5-7-12/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyMZVMPZYMNIUARB-UHFFFAOYSA-N
XLogP1.65
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate
CID 47413009
N-(4-aminophenyl)-2-(2-ethylhexoxy)acetamide
CID 43127167
N-(4-aminophenyl)-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 91844892
N-(3-amino-4-fluorophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide
CID 103486787
N-(4-carbamothioylphenyl)-2-pentan-2-yloxyacetamide
CID 102981860
N-[4-(2-aminoethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112601731
N-(4-aminophenyl)-3-(diethylamino)butanamide
CID 57129481
2-(4-aminophenoxy)-N-(4-ethylphenyl)acetamide
CID 39107615
N-(3-amino-4-methylphenyl)-2-(4-methylpentan-2-yloxy)acetamide
CID 43376679
N-[4-(aminomethyl)phenyl]-2-(1-ethoxypropan-2-yloxy)propanamide
CID 103487081
propyl 4-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 115593329
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-propan-2-yloxyacetamide
CID 112601696

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(1-ethoxypropan-2-yloxy)acetamide?
The IUPAC name of N-(4-aminophenyl)-2-(1-ethoxypropan-2-yloxy)acetamide (CID 103486889) is N-(4-aminophenyl)-2-(1-ethoxypropan-2-yloxy)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(1-ethoxypropan-2-yloxy)acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(1-ethoxypropan-2-yloxy)acetamide is CCOCC(C)OCC(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(1-ethoxypropan-2-yloxy)acetamide?
The InChIKey is MZVMPZYMNIUARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-17-8-10(2)18-9-13(16)15-12-6-4-11(14)5-7-12/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of N-(4-aminophenyl)-2-(1-ethoxypropan-2-yloxy)acetamide?
N-(4-aminophenyl)-2-(1-ethoxypropan-2-yloxy)acetamide has a molecular weight of 252.31 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(1-ethoxypropan-2-yloxy)acetamide is sourced from PubChem (CID 103486889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).