2-[butyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetamide

C15H24N2O3 — CID 82978340

IUPAC2-[butyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetamide
SMILESCCCCN(CC(N)=O)C(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C15H24N2O3/c1-4-5-8-17(10-15(16)19)11(2)12-6-7-13(18)14(9-12)20-3/h6-7,9,11,18H,4-5,8,10H2,1-3H3,(H2,16,19)
InChIKeyHCHCRNATWPSZDN-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.05
Rot. Bonds8

About 2-[butyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetamide

2-[butyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetamide (PubChem CID 82978340) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[butyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetamide
PubChem CID82978340
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[butyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetamide
SMILESCCCCN(CC(N)=O)C(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C15H24N2O3/c1-4-5-8-17(10-15(16)19)11(2)12-6-7-13(18)14(9-12)20-3/h6-7,9,11,18H,4-5,8,10H2,1-3H3,(H2,16,19)
InChIKeyHCHCRNATWPSZDN-UHFFFAOYSA-N
XLogP2.05
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid
CID 65067506
4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol
CID 102999085
4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol
CID 82981648
4-hexan-2-yl-2-methoxyphenol
CID 10285881
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083
N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]acetamide
CID 82978392
2-(butan-2-ylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 54908186
4-[1-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-methoxyphenol
CID 82981884
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]acetamide
CID 16772013
4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
CID 171222672
propyl 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate
CID 54017082
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 22339410

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetamide?
The IUPAC name of 2-[butyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetamide (CID 82978340) is 2-[butyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetamide?
The canonical SMILES for 2-[butyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetamide is CCCCN(CC(N)=O)C(C)c1ccc(O)c(OC)c1.
What is the InChIKey of 2-[butyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetamide?
The InChIKey is HCHCRNATWPSZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-5-8-17(10-15(16)19)11(2)12-6-7-13(18)14(9-12)20-3/h6-7,9,11,18H,4-5,8,10H2,1-3H3,(H2,16,19).
What are the key properties of 2-[butyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetamide?
2-[butyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetamide has a molecular weight of 280.37 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetamide is sourced from PubChem (CID 82978340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).