N-(3-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide

C17H20N2O3 — CID 39423192

IUPACN-(3-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(C)=O)c2cccc(N)c2)cc1OC
InChIInChI=1S/C17H20N2O3/c1-12(20)19(15-6-4-5-14(18)10-15)11-13-7-8-16(21-2)17(9-13)22-3/h4-10H,11,18H2,1-3H3
InChIKeyXIHLRCAWBMKJSJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.84
Rot. Bonds5

About N-(3-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide

N-(3-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 39423192) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
PubChem CID39423192
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-(3-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(C)=O)c2cccc(N)c2)cc1OC
InChIInChI=1S/C17H20N2O3/c1-12(20)19(15-6-4-5-14(18)10-15)11-13-7-8-16(21-2)17(9-13)22-3/h4-10H,11,18H2,1-3H3
InChIKeyXIHLRCAWBMKJSJ-UHFFFAOYSA-N
XLogP2.84
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-phenylcarbamoyl chloride
CID 24836611
methyl 2-(N-acetyl-3-aminoanilino)acetate
CID 68837946
N-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 28769902
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline
CID 62971006
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113062642
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 10424874
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
[4-[(3-aminophenyl)methoxy]-3-methoxyphenyl]methanol
CID 107742663
4-[(3-amino-N-methylanilino)methyl]benzamide
CID 61295633
N-[2-(N-acetyl-3-cyanoanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113064241
N-[(4-methoxy-3-tetradecoxyphenyl)methyl]-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide
CID 57013116

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of N-(3-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide (CID 39423192) is N-(3-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-(3-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for N-(3-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide is COc1ccc(CN(C(C)=O)c2cccc(N)c2)cc1OC.
What is the InChIKey of N-(3-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is XIHLRCAWBMKJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12(20)19(15-6-4-5-14(18)10-15)11-13-7-8-16(21-2)17(9-13)22-3/h4-10H,11,18H2,1-3H3.
What are the key properties of N-(3-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
N-(3-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 39423192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).