3-amino-N-methyl-4-(4-propylphenoxy)benzamide

C17H20N2O2 — CID 82992638

IUPAC3-amino-N-methyl-4-(4-propylphenoxy)benzamide
SMILESCCCc1ccc(Oc2ccc(C(=O)NC)cc2N)cc1
InChIInChI=1S/C17H20N2O2/c1-3-4-12-5-8-14(9-6-12)21-16-10-7-13(11-15(16)18)17(20)19-2/h5-11H,3-4,18H2,1-2H3,(H,19,20)
InChIKeyKYTSGQZGJIEAMN-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.37
Rot. Bonds5

About 3-amino-N-methyl-4-(4-propylphenoxy)benzamide

3-amino-N-methyl-4-(4-propylphenoxy)benzamide (PubChem CID 82992638) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-N-methyl-4-(4-propylphenoxy)benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-(4-propylphenoxy)benzamide
PubChem CID82992638
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-amino-N-methyl-4-(4-propylphenoxy)benzamide
SMILESCCCc1ccc(Oc2ccc(C(=O)NC)cc2N)cc1
InChIInChI=1S/C17H20N2O2/c1-3-4-12-5-8-14(9-6-12)21-16-10-7-13(11-15(16)18)17(20)19-2/h5-11H,3-4,18H2,1-2H3,(H,19,20)
InChIKeyKYTSGQZGJIEAMN-UHFFFAOYSA-N
XLogP3.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.37
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-amino-4-(4-ethoxyphenoxy)-N-methylbenzamide
CID 82992417
3-amino-4-(4-bromophenoxy)-N-methylbenzamide
CID 82999872
3-amino-4-(3,5-dimethylphenoxy)-N-methylbenzamide
CID 83000237
3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide
CID 82992637
3-amino-4-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzamide
CID 83000242
3-amino-4-(3,5-difluorophenoxy)-N-ethylbenzamide
CID 82990957
3-amino-4-[(4-fluorophenyl)methoxy]-N-methylbenzamide
CID 82070222
3-amino-4-(3-cyanophenoxy)-N-methylbenzamide
CID 78984165
4-amino-N-methyl-3-phenoxybenzamide
CID 63357107
4-amino-3-butoxy-N-methylbenzamide
CID 63357456
3-amino-4-(2,5-dimethylphenoxy)-N-methylbenzamide
CID 83000096
1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone
CID 63532362

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-(4-propylphenoxy)benzamide?
The IUPAC name of 3-amino-N-methyl-4-(4-propylphenoxy)benzamide (CID 82992638) is 3-amino-N-methyl-4-(4-propylphenoxy)benzamide.
What is the SMILES notation for 3-amino-N-methyl-4-(4-propylphenoxy)benzamide?
The canonical SMILES for 3-amino-N-methyl-4-(4-propylphenoxy)benzamide is CCCc1ccc(Oc2ccc(C(=O)NC)cc2N)cc1.
What is the InChIKey of 3-amino-N-methyl-4-(4-propylphenoxy)benzamide?
The InChIKey is KYTSGQZGJIEAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-4-12-5-8-14(9-6-12)21-16-10-7-13(11-15(16)18)17(20)19-2/h5-11H,3-4,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-methyl-4-(4-propylphenoxy)benzamide?
3-amino-N-methyl-4-(4-propylphenoxy)benzamide has a molecular weight of 284.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-(4-propylphenoxy)benzamide is sourced from PubChem (CID 82992638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).