N-butyl-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide

C16H25NO3 — CID 78785126

IUPACN-butyl-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCCCCN(CC)C(=O)COc1ccc(C)cc1OC
InChIInChI=1S/C16H25NO3/c1-5-7-10-17(6-2)16(18)12-20-14-9-8-13(3)11-15(14)19-4/h8-9,11H,5-7,10,12H2,1-4H3
InChIKeyKJGQKTFWGAUPMW-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.03
Rot. Bonds8

About N-butyl-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide

N-butyl-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide (PubChem CID 78785126) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide
PubChem CID78785126
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-butyl-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCCCCN(CC)C(=O)COc1ccc(C)cc1OC
InChIInChI=1S/C16H25NO3/c1-5-7-10-17(6-2)16(18)12-20-14-9-8-13(3)11-15(14)19-4/h8-9,11H,5-7,10,12H2,1-4H3
InChIKeyKJGQKTFWGAUPMW-UHFFFAOYSA-N
XLogP3.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 60626763
2-(2,5-dimethylphenoxy)-N,N-diethylacetamide
CID 920931
N,N-diethyl-2-(4-ethyl-2-methoxyphenoxy)acetamide
CID 154118386
N-(3-hydroxypropyl)-2-(2-methoxy-4-methylphenoxy)-N-propan-2-ylacetamide
CID 61038899
N,N-diethyl-2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]acetamide
CID 78947011
2-(4-carbamothioyl-2-methoxyphenoxy)-N,N-diethylacetamide
CID 24690581
1,1-dibutyl-3-(2-methoxy-5-methylphenyl)urea
CID 5047636
2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetic acid
CID 879607
2-(2-methoxy-4-methylphenoxy)-N-methyl-N-phenylacetamide
CID 78765522
N,N-diethyl-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 78766081
methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate
CID 61383302
2-[2-(dipropylamino)-2-oxoethoxy]-5-methylbenzoic acid
CID 61379859

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide?
The IUPAC name of N-butyl-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide (CID 78785126) is N-butyl-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide.
What is the SMILES notation for N-butyl-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide?
The canonical SMILES for N-butyl-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide is CCCCN(CC)C(=O)COc1ccc(C)cc1OC.
What is the InChIKey of N-butyl-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide?
The InChIKey is KJGQKTFWGAUPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-7-10-17(6-2)16(18)12-20-14-9-8-13(3)11-15(14)19-4/h8-9,11H,5-7,10,12H2,1-4H3.
What are the key properties of N-butyl-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide?
N-butyl-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide has a molecular weight of 279.38 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide is sourced from PubChem (CID 78785126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).