3-amino-N,N-dimethyl-4-(3-methylphenoxy)benzamide

C16H18N2O2 — CID 82993412

IUPAC3-amino-N,N-dimethyl-4-(3-methylphenoxy)benzamide
SMILESCc1cccc(Oc2ccc(C(=O)N(C)C)cc2N)c1
InChIInChI=1S/C16H18N2O2/c1-11-5-4-6-13(9-11)20-15-8-7-12(10-14(15)17)16(19)18(2)3/h4-10H,17H2,1-3H3
InChIKeyWFZPNZNTVZTWEQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.07
Rot. Bonds3

About 3-amino-N,N-dimethyl-4-(3-methylphenoxy)benzamide

3-amino-N,N-dimethyl-4-(3-methylphenoxy)benzamide (PubChem CID 82993412) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-(3-methylphenoxy)benzamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-(3-methylphenoxy)benzamide
PubChem CID82993412
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-amino-N,N-dimethyl-4-(3-methylphenoxy)benzamide
SMILESCc1cccc(Oc2ccc(C(=O)N(C)C)cc2N)c1
InChIInChI=1S/C16H18N2O2/c1-11-5-4-6-13(9-11)20-15-8-7-12(10-14(15)17)16(19)18(2)3/h4-10H,17H2,1-3H3
InChIKeyWFZPNZNTVZTWEQ-UHFFFAOYSA-N
XLogP3.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(2-bromo-4-methylphenoxy)-N,N-dimethylbenzamide
CID 82989678
3-amino-4-[4-(hydroxymethyl)phenoxy]-N,N-dimethylbenzamide
CID 82990529
3-amino-N,N-dimethyl-4-(4-methylsulfanylphenoxy)benzamide
CID 82992971
3-amino-4-(2,3-difluorophenoxy)-N,N-dimethylbenzamide
CID 82992737
1-[3-amino-4-(3-methoxyphenoxy)phenyl]ethanone
CID 82132319
3-amino-4-(2,5-difluorophenoxy)-N,N-dimethylbenzamide
CID 82992739
4-amino-N-methyl-3-(3-methylphenoxy)benzamide
CID 63357062
1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone
CID 82133162
4-amino-N,N-dimethyl-3-pyridin-3-yloxybenzamide
CID 63358470
1-(3-amino-4-phenoxyphenyl)ethanone
CID 82128259
3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide
CID 82991549
3-(4-amino-3-chlorophenoxy)-N,N-dimethylbenzamide
CID 118138252

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-(3-methylphenoxy)benzamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-(3-methylphenoxy)benzamide (CID 82993412) is 3-amino-N,N-dimethyl-4-(3-methylphenoxy)benzamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-(3-methylphenoxy)benzamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-(3-methylphenoxy)benzamide is Cc1cccc(Oc2ccc(C(=O)N(C)C)cc2N)c1.
What is the InChIKey of 3-amino-N,N-dimethyl-4-(3-methylphenoxy)benzamide?
The InChIKey is WFZPNZNTVZTWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-5-4-6-13(9-11)20-15-8-7-12(10-14(15)17)16(19)18(2)3/h4-10H,17H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-4-(3-methylphenoxy)benzamide?
3-amino-N,N-dimethyl-4-(3-methylphenoxy)benzamide has a molecular weight of 270.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-(3-methylphenoxy)benzamide is sourced from PubChem (CID 82993412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).