N-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide

C12H18N2O3 — CID 28769902

IUPACN-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(N(CCN)C(C)=O)cc1OC
InChIInChI=1S/C12H18N2O3/c1-9(15)14(7-6-13)10-4-5-11(16-2)12(8-10)17-3/h4-5,8H,6-7,13H2,1-3H3
InChIKeyATDKKIDPHBXANL-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.02
Rot. Bonds5

About N-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide

N-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 28769902) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID28769902
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(N(CCN)C(C)=O)cc1OC
InChIInChI=1S/C12H18N2O3/c1-9(15)14(7-6-13)10-4-5-11(16-2)12(8-10)17-3/h4-5,8H,6-7,13H2,1-3H3
InChIKeyATDKKIDPHBXANL-UHFFFAOYSA-N
XLogP1.02
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide
CID 113130237
3-(N-acetyl-3,4-dimethoxyanilino)-N-propan-2-ylpropanamide
CID 113130179
tert-butyl N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]carbamate
CID 113061339
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide
CID 113061304
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3-methylbutanamide
CID 113061293
3-(N-acetyl-3,4-dimethoxyanilino)-N-prop-2-enylpropanamide
CID 113130181
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide
CID 113061310
3-(N-acetyl-3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113130250
2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide
CID 113174873
3-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113130206
N-(3,4-dimethoxyphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113061350
N-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 113061347

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide (CID 28769902) is N-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(N(CCN)C(C)=O)cc1OC.
What is the InChIKey of N-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is ATDKKIDPHBXANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(15)14(7-6-13)10-4-5-11(16-2)12(8-10)17-3/h4-5,8H,6-7,13H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide?
N-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 238.29 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 28769902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).