2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide

C16H27N3O2 — CID 61090094

IUPAC2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
SMILESCC(C)N(CCNC(=O)COc1cccc(N)c1)C(C)C
InChIInChI=1S/C16H27N3O2/c1-12(2)19(13(3)4)9-8-18-16(20)11-21-15-7-5-6-14(17)10-15/h5-7,10,12-13H,8-9,11,17H2,1-4H3,(H,18,20)
InChIKeyFMJXQMVDWQJKNO-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.88
Rot. Bonds8

About 2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide

2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide (PubChem CID 61090094) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
PubChem CID61090094
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
SMILESCC(C)N(CCNC(=O)COc1cccc(N)c1)C(C)C
InChIInChI=1S/C16H27N3O2/c1-12(2)19(13(3)4)9-8-18-16(20)11-21-15-7-5-6-14(17)10-15/h5-7,10,12-13H,8-9,11,17H2,1-4H3,(H,18,20)
InChIKeyFMJXQMVDWQJKNO-UHFFFAOYSA-N
XLogP1.88
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 8919159
N-[2-[di(propan-2-yl)amino]ethyl]-2-naphthalen-2-yloxyacetamide
CID 8919238
2-(3-aminophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 62498674
2-(3-aminophenoxy)-N-[2-(dimethylamino)propyl]acetamide
CID 61140673
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide
CID 61036344
2-(3-aminophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79248730
2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide
CID 82950283
2-(3-aminophenoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide
CID 79353305
2-(3-aminophenoxy)-N-(2,2-dimethylbutyl)acetamide
CID 103459940
2-(3-aminophenoxy)-N-(2-piperidin-1-ylpropyl)acetamide
CID 61138864
2-(3-aminophenoxy)-N-(2-pyrazol-1-ylethyl)acetamide
CID 61459957

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide (CID 61090094) is 2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide is CC(C)N(CCNC(=O)COc1cccc(N)c1)C(C)C.
What is the InChIKey of 2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
The InChIKey is FMJXQMVDWQJKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(2)19(13(3)4)9-8-18-16(20)11-21-15-7-5-6-14(17)10-15/h5-7,10,12-13H,8-9,11,17H2,1-4H3,(H,18,20).
What are the key properties of 2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide has a molecular weight of 293.41 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide is sourced from PubChem (CID 61090094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).