N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide

C14H22N2O2 — CID 54915240

IUPACN-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCOc1ccc(N)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)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)
InChIKeySWAOYAGNAHZBQE-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.20
Rot. Bonds5

About N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide

N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide (PubChem CID 54915240) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide
PubChem CID54915240
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCOc1ccc(N)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)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)
InChIKeySWAOYAGNAHZBQE-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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]-3,3,3-trifluoropropanamide
CID 54915197
N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112601847
tert-butyl N-[2-[4-(4-aminophenyl)phenoxy]ethyl]carbamate
CID 139950416
3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108573551
N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide
CID 84816880
3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide
CID 104758179
3-(4-aminophenoxy)propylcarbamic acid
CID 22640978
N-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide
CID 60893152
N-[2-(4-aminophenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 62388330
2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide
CID 61168038
2-methylpropyl N-[2-(4-aminophenoxy)ethyl]carbamate
CID 61031617
N-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide
CID 114457049

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide (CID 54915240) is N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCCOc1ccc(N)cc1.
What is the InChIKey of N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide?
The InChIKey is SWAOYAGNAHZBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)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]-3,3-dimethylbutanamide?
N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 54915240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).