4-(3-aminophenoxy)-3,5-dimethylbenzamide

C15H16N2O2 — CID 80751978

IUPAC4-(3-aminophenoxy)-3,5-dimethylbenzamide
SMILESCc1cc(C(N)=O)cc(C)c1Oc1cccc(N)c1
InChIInChI=1S/C15H16N2O2/c1-9-6-11(15(17)18)7-10(2)14(9)19-13-5-3-4-12(16)8-13/h3-8H,16H2,1-2H3,(H2,17,18)
InChIKeyPFQZLKVIAYGLJZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.78
Rot. Bonds3

About 4-(3-aminophenoxy)-3,5-dimethylbenzamide

4-(3-aminophenoxy)-3,5-dimethylbenzamide (PubChem CID 80751978) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-(3-aminophenoxy)-3,5-dimethylbenzamide.

Molecular Properties

Compound Name4-(3-aminophenoxy)-3,5-dimethylbenzamide
PubChem CID80751978
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name4-(3-aminophenoxy)-3,5-dimethylbenzamide
SMILESCc1cc(C(N)=O)cc(C)c1Oc1cccc(N)c1
InChIInChI=1S/C15H16N2O2/c1-9-6-11(15(17)18)7-10(2)14(9)19-13-5-3-4-12(16)8-13/h3-8H,16H2,1-2H3,(H2,17,18)
InChIKeyPFQZLKVIAYGLJZ-UHFFFAOYSA-N
XLogP2.78
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[4-(3-aminophenoxy)-3,5-dimethylphenyl]phenoxy]aniline
CID 18517163
3-[4-[2-[4-[2-[4-(3-aminophenoxy)-3,5-dimethylphenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]aniline
CID 22402603
3-(2,6-dimethoxyphenoxy)aniline
CID 57089933
[4-(3-aminophenoxy)phenyl]-[3,5-bis[4-(3-aminophenoxy)benzoyl]phenyl]methanone
CID 102447265
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881
4-[(3-amino-6-chloro-2-pyridinyl)oxy]-3,5-dimethylbenzamide
CID 115474547
2-(3-aminophenoxy)propanamide
CID 43115971
3-(2,6-dicyanophenoxy)benzamide
CID 86818071
4-(2-amino-4-cyanophenoxy)-3,5-dimethylbenzamide
CID 65455621
4-(3-acetylphenoxy)-3,5-dimethylbenzonitrile
CID 79167595
(4-carbamoyl-2,6-dimethylphenyl) 3-chlorobenzoate
CID 129452366
2,6-bis(3-aminophenoxy)benzoic acid
CID 154115522

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenoxy)-3,5-dimethylbenzamide?
The IUPAC name of 4-(3-aminophenoxy)-3,5-dimethylbenzamide (CID 80751978) is 4-(3-aminophenoxy)-3,5-dimethylbenzamide.
What is the SMILES notation for 4-(3-aminophenoxy)-3,5-dimethylbenzamide?
The canonical SMILES for 4-(3-aminophenoxy)-3,5-dimethylbenzamide is Cc1cc(C(N)=O)cc(C)c1Oc1cccc(N)c1.
What is the InChIKey of 4-(3-aminophenoxy)-3,5-dimethylbenzamide?
The InChIKey is PFQZLKVIAYGLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-6-11(15(17)18)7-10(2)14(9)19-13-5-3-4-12(16)8-13/h3-8H,16H2,1-2H3,(H2,17,18).
What are the key properties of 4-(3-aminophenoxy)-3,5-dimethylbenzamide?
4-(3-aminophenoxy)-3,5-dimethylbenzamide has a molecular weight of 256.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenoxy)-3,5-dimethylbenzamide is sourced from PubChem (CID 80751978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).