N-[2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide

C14H22N2O4 — CID 82314341

IUPACN-[2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
SMILESCOc1ccc(C(O)CNCCNC(C)=O)cc1OC
InChIInChI=1S/C14H22N2O4/c1-10(17)16-7-6-15-9-12(18)11-4-5-13(19-2)14(8-11)20-3/h4-5,8,12,15,18H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyLHVHMUSDQMXJPB-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.46
Rot. Bonds8

About N-[2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide

N-[2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide (PubChem CID 82314341) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
PubChem CID82314341
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC NameN-[2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
SMILESCOc1ccc(C(O)CNCCNC(C)=O)cc1OC
InChIInChI=1S/C14H22N2O4/c1-10(17)16-7-6-15-9-12(18)11-4-5-13(19-2)14(8-11)20-3/h4-5,8,12,15,18H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyLHVHMUSDQMXJPB-UHFFFAOYSA-N
XLogP0.46
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]acetamide
CID 82312252
N-[2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
CID 82314995
N'-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 90613622
4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,5-dimethylbenzamide
CID 72717717
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
CID 597490
N-[2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
CID 82313978
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]acetamide
CID 110314862
N'-tert-butyl-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 72717745
1-tert-butyl-3-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 99780012
2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]propanoic acid
CID 82314338
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
CID 11042831

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide (CID 82314341) is N-[2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide is COc1ccc(C(O)CNCCNC(C)=O)cc1OC.
What is the InChIKey of N-[2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide?
The InChIKey is LHVHMUSDQMXJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-10(17)16-7-6-15-9-12(18)11-4-5-13(19-2)14(8-11)20-3/h4-5,8,12,15,18H,6-7,9H2,1-3H3,(H,16,17).
What are the key properties of N-[2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide?
N-[2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide has a molecular weight of 282.34 g/mol, XLogP of 0.46, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide is sourced from PubChem (CID 82314341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).