3-(3-amino-2-cyanophenoxy)-2,2-dimethyl-N-propylpropanamide

C15H21N3O2 — CID 46833662

IUPAC3-(3-amino-2-cyanophenoxy)-2,2-dimethyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)(C)COc1cccc(N)c1C#N
InChIInChI=1S/C15H21N3O2/c1-4-8-18-14(19)15(2,3)10-20-13-7-5-6-12(17)11(13)9-16/h5-7H,4,8,10,17H2,1-3H3,(H,18,19)
InChIKeyYEAJJBVTZYRLMH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.07
Rot. Bonds6

About 3-(3-amino-2-cyanophenoxy)-2,2-dimethyl-N-propylpropanamide

3-(3-amino-2-cyanophenoxy)-2,2-dimethyl-N-propylpropanamide (PubChem CID 46833662) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(3-amino-2-cyanophenoxy)-2,2-dimethyl-N-propylpropanamide.

Molecular Properties

Compound Name3-(3-amino-2-cyanophenoxy)-2,2-dimethyl-N-propylpropanamide
PubChem CID46833662
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(3-amino-2-cyanophenoxy)-2,2-dimethyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)(C)COc1cccc(N)c1C#N
InChIInChI=1S/C15H21N3O2/c1-4-8-18-14(19)15(2,3)10-20-13-7-5-6-12(17)11(13)9-16/h5-7H,4,8,10,17H2,1-3H3,(H,18,19)
InChIKeyYEAJJBVTZYRLMH-UHFFFAOYSA-N
XLogP2.07
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-2-cyanophenoxy)-2,2-dimethyl-N-(2-phenylmethoxyethyl)propanamide
CID 66746036
3-(3-amino-2-cyanophenoxy)-2,2-dimethyl-N-propan-2-ylpropanamide;3-hydroxy-2,2-dimethyl-N-propan-2-ylpropanamide
CID 158310989
[1-[6-(3-amino-2-cyanophenoxy)hexylamino]-2-methyl-1-oxopropan-2-yl] acetate
CID 66746064
3-[(1-amino-3-oxo-4H-isoquinolin-8-yl)oxy]-2,2-dimethyl-N-propylpropanamide
CID 58429484
2-[(3-amino-2-cyanophenoxy)methyl]prop-2-enyl acetate
CID 67400011
2-(2-amino-2-methylbutoxy)-6-chlorobenzonitrile
CID 64573225
2-amino-6-[(2R)-2-aminobutoxy]benzonitrile
CID 69055287
2-amino-6-[2-(2-ethoxyethoxy)ethoxy]benzonitrile
CID 67399827
methyl 3-(2-aminophenoxy)-2,2-dimethylpropanoate
CID 79622163
tert-butyl N-[1-[(3-amino-2-cyanophenoxy)methyl]cyclobutyl]carbamate
CID 90372614
2-amino-6-[(2R)-2-aminopropoxy]benzonitrile
CID 66746385
2-amino-6-[[(2S)-1-butanoylpyrrolidin-2-yl]methoxy]benzonitrile
CID 66746002

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-cyanophenoxy)-2,2-dimethyl-N-propylpropanamide?
The IUPAC name of 3-(3-amino-2-cyanophenoxy)-2,2-dimethyl-N-propylpropanamide (CID 46833662) is 3-(3-amino-2-cyanophenoxy)-2,2-dimethyl-N-propylpropanamide.
What is the SMILES notation for 3-(3-amino-2-cyanophenoxy)-2,2-dimethyl-N-propylpropanamide?
The canonical SMILES for 3-(3-amino-2-cyanophenoxy)-2,2-dimethyl-N-propylpropanamide is CCCNC(=O)C(C)(C)COc1cccc(N)c1C#N.
What is the InChIKey of 3-(3-amino-2-cyanophenoxy)-2,2-dimethyl-N-propylpropanamide?
The InChIKey is YEAJJBVTZYRLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-8-18-14(19)15(2,3)10-20-13-7-5-6-12(17)11(13)9-16/h5-7H,4,8,10,17H2,1-3H3,(H,18,19).
What are the key properties of 3-(3-amino-2-cyanophenoxy)-2,2-dimethyl-N-propylpropanamide?
3-(3-amino-2-cyanophenoxy)-2,2-dimethyl-N-propylpropanamide has a molecular weight of 275.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-cyanophenoxy)-2,2-dimethyl-N-propylpropanamide is sourced from PubChem (CID 46833662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).