2-(2-amino-4,5-dimethoxyphenyl)-N-benzylacetamide

C17H20N2O3 — CID 154144310

IUPAC2-(2-amino-4,5-dimethoxyphenyl)-N-benzylacetamide
SMILESCOc1cc(N)c(CC(=O)NCc2ccccc2)cc1OC
InChIInChI=1S/C17H20N2O3/c1-21-15-8-13(14(18)10-16(15)22-2)9-17(20)19-11-12-6-4-3-5-7-12/h3-8,10H,9,11,18H2,1-2H3,(H,19,20)
InChIKeyKGSZIBUGIUSUAU-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.14
Rot. Bonds6

About 2-(2-amino-4,5-dimethoxyphenyl)-N-benzylacetamide

2-(2-amino-4,5-dimethoxyphenyl)-N-benzylacetamide (PubChem CID 154144310) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(2-amino-4,5-dimethoxyphenyl)-N-benzylacetamide.

Molecular Properties

Compound Name2-(2-amino-4,5-dimethoxyphenyl)-N-benzylacetamide
PubChem CID154144310
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-(2-amino-4,5-dimethoxyphenyl)-N-benzylacetamide
SMILESCOc1cc(N)c(CC(=O)NCc2ccccc2)cc1OC
InChIInChI=1S/C17H20N2O3/c1-21-15-8-13(14(18)10-16(15)22-2)9-17(20)19-11-12-6-4-3-5-7-12/h3-8,10H,9,11,18H2,1-2H3,(H,19,20)
InChIKeyKGSZIBUGIUSUAU-UHFFFAOYSA-N
XLogP2.14
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.14
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

methyl 2-[4,5-dimethoxy-2-[[(2-phenylacetyl)amino]methyl]phenyl]acetate
CID 67148501
2-(3,4-dimethoxyphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464992
2-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 28711930
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
CID 110784312
N-benzyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 8713252
N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-fluorophenyl)acetamide
CID 60972241
2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119690607
[2-(benzylamino)-2-oxoethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate
CID 55311304
N-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide
CID 62503557
[2-(benzylamino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 55325328
2-N-benzyl-4,5-dimethoxybenzene-1,2-diamine
CID 13230181

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,5-dimethoxyphenyl)-N-benzylacetamide?
The IUPAC name of 2-(2-amino-4,5-dimethoxyphenyl)-N-benzylacetamide (CID 154144310) is 2-(2-amino-4,5-dimethoxyphenyl)-N-benzylacetamide.
What is the SMILES notation for 2-(2-amino-4,5-dimethoxyphenyl)-N-benzylacetamide?
The canonical SMILES for 2-(2-amino-4,5-dimethoxyphenyl)-N-benzylacetamide is COc1cc(N)c(CC(=O)NCc2ccccc2)cc1OC.
What is the InChIKey of 2-(2-amino-4,5-dimethoxyphenyl)-N-benzylacetamide?
The InChIKey is KGSZIBUGIUSUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-15-8-13(14(18)10-16(15)22-2)9-17(20)19-11-12-6-4-3-5-7-12/h3-8,10H,9,11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-amino-4,5-dimethoxyphenyl)-N-benzylacetamide?
2-(2-amino-4,5-dimethoxyphenyl)-N-benzylacetamide has a molecular weight of 300.36 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,5-dimethoxyphenyl)-N-benzylacetamide is sourced from PubChem (CID 154144310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).