N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide

C18H28N2O4 — CID 113056855

IUPACN-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCN(CCC(C)C)C(C)=O
InChIInChI=1S/C18H28N2O4/c1-14(2)9-11-20(15(3)21)12-10-19-18(22)13-24-17-8-6-5-7-16(17)23-4/h5-8,14H,9-13H2,1-4H3,(H,19,22)
InChIKeyCDFRONVHHJUTPH-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.08
Rot. Bonds10

About N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide

N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 113056855) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID113056855
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCN(CCC(C)C)C(C)=O
InChIInChI=1S/C18H28N2O4/c1-14(2)9-11-20(15(3)21)12-10-19-18(22)13-24-17-8-6-5-7-16(17)23-4/h5-8,14H,9-13H2,1-4H3,(H,19,22)
InChIKeyCDFRONVHHJUTPH-UHFFFAOYSA-N
XLogP2.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113053908
N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113056601
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113054259
N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 119494768
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide
CID 113055840
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide
CID 113121259
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113059329
2-hydroxy-4-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 107831912
N-(3-hydroxypentyl)-2-(2-methoxyphenoxy)acetamide
CID 115703728
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide
CID 113055809
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenylacetamide
CID 113055835
2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486616

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide (CID 113056855) is N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCCN(CCC(C)C)C(C)=O.
What is the InChIKey of N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is CDFRONVHHJUTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-14(2)9-11-20(15(3)21)12-10-19-18(22)13-24-17-8-6-5-7-16(17)23-4/h5-8,14H,9-13H2,1-4H3,(H,19,22).
What are the key properties of N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide?
N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 336.43 g/mol, XLogP of 2.08, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 113056855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).