N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-N-methylacetamide

C14H22N2O3 — CID 107799705

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

About N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-N-methylacetamide

N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-N-methylacetamide (PubChem CID 107799705) 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)ethylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-N-methylacetamide
PubChem CID107799705
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-N-methylacetamide
SMILESCCN(C)C(=O)CNC(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-5-16(3)14(18)9-15-10(2)11-6-7-12(17)13(8-11)19-4/h6-8,10,15,17H,5,9H2,1-4H3
InChIKeyNWZJGGHCHDBGMQ-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-[1-(3,4-dimethylphenyl)ethylamino]-N-ethyl-N-methylacetamide
CID 113350546
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]acetamide
CID 16772013
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethyl-N-methylacetamide
CID 81360039
N-ethyl-2-[1-(4-ethylphenyl)ethylamino]-N-methylacetamide
CID 60759691
4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol
CID 43590855
2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide
CID 43214750
4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol
CID 43196184
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210959
2-methoxy-4-[1-(3-methylbutylamino)ethyl]phenol
CID 43193059
2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol
CID 43190162
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 43573995
N-ethyl-N-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide
CID 103915670

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-N-methylacetamide?
The IUPAC name of N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-N-methylacetamide (CID 107799705) is N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-N-methylacetamide?
The canonical SMILES for N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-N-methylacetamide is CCN(C)C(=O)CNC(C)c1ccc(O)c(OC)c1.
What is the InChIKey of N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-N-methylacetamide?
The InChIKey is NWZJGGHCHDBGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-16(3)14(18)9-15-10(2)11-6-7-12(17)13(8-11)19-4/h6-8,10,15,17H,5,9H2,1-4H3.
What are the key properties of N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-N-methylacetamide?
N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-N-methylacetamide 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)ethylamino]-N-methylacetamide is sourced from PubChem (CID 107799705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).