N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C14H22N2O3 — CID 112601847

IUPACN-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCCOc1ccc(N)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-10-13(17)16-8-9-18-12-6-4-11(15)5-7-12/h4-7H,8-10,15H2,1-3H3,(H,16,17)
InChIKeyNKTRDYBDPNHGKS-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.58
Rot. Bonds6

About N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112601847) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112601847
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCCOc1ccc(N)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-10-13(17)16-8-9-18-12-6-4-11(15)5-7-12/h4-7H,8-10,15H2,1-3H3,(H,16,17)
InChIKeyNKTRDYBDPNHGKS-UHFFFAOYSA-N
XLogP1.58
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide
CID 54915240
tert-butyl N-[2-[4-(4-aminophenyl)phenoxy]ethyl]carbamate
CID 139950416
N-[2-(4-aminophenoxy)ethyl]-3,3,3-trifluoropropanamide
CID 54915197
2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 134170006
N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide
CID 84816880
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-aminophenoxy)acetate
CID 61485546
2-(4-aminophenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 114464873
N-[2-(4-aminophenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 62388330
2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide
CID 61168038
N-[2-(4-aminophenoxy)ethyl]-2-methylsulfonylpropanamide
CID 104517296
3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide
CID 104758179
3-(4-aminophenoxy)propylcarbamic acid
CID 22640978

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112601847) is N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)NCCOc1ccc(N)cc1.
What is the InChIKey of N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is NKTRDYBDPNHGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)19-10-13(17)16-8-9-18-12-6-4-11(15)5-7-12/h4-7H,8-10,15H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 266.34 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112601847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).