2-(4-aminophenoxy)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide

C15H25N3O2 — CID 106033043

IUPAC2-(4-aminophenoxy)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
SMILESCC(C)N(C)CCCNC(=O)COc1ccc(N)cc1
InChIInChI=1S/C15H25N3O2/c1-12(2)18(3)10-4-9-17-15(19)11-20-14-7-5-13(16)6-8-14/h5-8,12H,4,9-11,16H2,1-3H3,(H,17,19)
InChIKeyUXNOEZRTQHDOTB-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.49
Rot. Bonds8

About 2-(4-aminophenoxy)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide

2-(4-aminophenoxy)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide (PubChem CID 106033043) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
PubChem CID106033043
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-(4-aminophenoxy)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
SMILESCC(C)N(C)CCCNC(=O)COc1ccc(N)cc1
InChIInChI=1S/C15H25N3O2/c1-12(2)18(3)10-4-9-17-15(19)11-20-14-7-5-13(16)6-8-14/h5-8,12H,4,9-11,16H2,1-3H3,(H,17,19)
InChIKeyUXNOEZRTQHDOTB-UHFFFAOYSA-N
XLogP1.49
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.49
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

2-[4-(aminomethyl)phenoxy]-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 106033671
3-[[2-(4-aminophenoxy)acetyl]amino]-N,N-dimethylpropanamide
CID 61103897
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
2-(4-aminophenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 114464873
2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide
CID 61168038
2-[[2-(4-aminophenoxy)acetyl]amino]acetamide
CID 61090712
4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine
CID 106036365
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(4-cyanophenoxy)acetamide
CID 95167799
2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 61090094
4-amino-2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033010

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide (CID 106033043) is 2-(4-aminophenoxy)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide is CC(C)N(C)CCCNC(=O)COc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide?
The InChIKey is UXNOEZRTQHDOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12(2)18(3)10-4-9-17-15(19)11-20-14-7-5-13(16)6-8-14/h5-8,12H,4,9-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-(4-aminophenoxy)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide?
2-(4-aminophenoxy)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide has a molecular weight of 279.38 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide is sourced from PubChem (CID 106033043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).