3-(4-aminophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide

C16H25N3O2 — CID 105413331

IUPAC3-(4-aminophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide
SMILESCN(C)C1(CNC(=O)CCOc2ccc(N)cc2)CCC1
InChIInChI=1S/C16H25N3O2/c1-19(2)16(9-3-10-16)12-18-15(20)8-11-21-14-6-4-13(17)5-7-14/h4-7H,3,8-12,17H2,1-2H3,(H,18,20)
InChIKeyXLRXELOJRZHXCB-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.64
Rot. Bonds7

About 3-(4-aminophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide

3-(4-aminophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide (PubChem CID 105413331) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide
PubChem CID105413331
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-(4-aminophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide
SMILESCN(C)C1(CNC(=O)CCOc2ccc(N)cc2)CCC1
InChIInChI=1S/C16H25N3O2/c1-19(2)16(9-3-10-16)12-18-15(20)8-11-21-14-6-4-13(17)5-7-14/h4-7H,3,8-12,17H2,1-2H3,(H,18,20)
InChIKeyXLRXELOJRZHXCB-UHFFFAOYSA-N
XLogP1.64
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.64
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

2-(4-aminophenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]acetamide
CID 83107877
3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide
CID 105415955
3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide
CID 61090650
3-(4-aminophenoxy)-N-(2-cyclopentylethyl)propanamide
CID 61102913
3-(3-aminophenyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide
CID 83108125
3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide
CID 103459992
3-(4-aminophenoxy)-N-(3-hydroxybutyl)propanamide
CID 64929581
3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide
CID 104758179
3-(4-aminophenoxy)-N-(2-hydroxybutyl)propanamide
CID 113491836
methyl 3-[3-(4-aminophenoxy)propanoylamino]-2-hydroxypropanoate
CID 107211638
2-(5-amino-2-pyridinyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride
CID 120617410
3-(4-aminophenoxy)-N-pent-4-ynylpropanamide
CID 106219813

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide (CID 105413331) is 3-(4-aminophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide is CN(C)C1(CNC(=O)CCOc2ccc(N)cc2)CCC1.
What is the InChIKey of 3-(4-aminophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide?
The InChIKey is XLRXELOJRZHXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19(2)16(9-3-10-16)12-18-15(20)8-11-21-14-6-4-13(17)5-7-14/h4-7H,3,8-12,17H2,1-2H3,(H,18,20).
What are the key properties of 3-(4-aminophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide?
3-(4-aminophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide has a molecular weight of 291.39 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide is sourced from PubChem (CID 105413331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).