N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]acetamide

C14H22N2O3 — CID 82978392

IUPACN-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]acetamide
SMILESCCNC(=O)CN(C)C(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-5-15-14(18)9-16(3)10(2)11-6-7-12(17)13(8-11)19-4/h6-8,10,17H,5,9H2,1-4H3,(H,15,18)
InChIKeyUESWCGMXWWCAJK-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.53
Rot. Bonds6

About N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]acetamide

N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]acetamide (PubChem CID 82978392) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]acetamide
PubChem CID82978392
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]acetamide
SMILESCCNC(=O)CN(C)C(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-5-15-14(18)9-16(3)10(2)11-6-7-12(17)13(8-11)19-4/h6-8,10,17H,5,9H2,1-4H3,(H,15,18)
InChIKeyUESWCGMXWWCAJK-UHFFFAOYSA-N
XLogP1.53
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetamide
CID 82978340
4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol
CID 79647398
2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid
CID 65067506
4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol
CID 82981648
4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol
CID 102999085
N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-N-methylacetamide
CID 107799705
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
3-[1-(3,4-dimethoxyphenyl)ethyl-methylamino]propanoic acid
CID 2902334
2-[cyclopentyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid
CID 65058654
4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
CID 171222672
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 43573995
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]acetamide?
The IUPAC name of N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]acetamide (CID 82978392) is N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]acetamide?
The canonical SMILES for N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]acetamide is CCNC(=O)CN(C)C(C)c1ccc(O)c(OC)c1.
What is the InChIKey of N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]acetamide?
The InChIKey is UESWCGMXWWCAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-15-14(18)9-16(3)10(2)11-6-7-12(17)13(8-11)19-4/h6-8,10,17H,5,9H2,1-4H3,(H,15,18).
What are the key properties of N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]acetamide?
N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]acetamide has a molecular weight of 266.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]acetamide is sourced from PubChem (CID 82978392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).