2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide

C16H25NO2 — CID 78813044

IUPAC2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide
SMILESCCC(CC)C(=O)NC(C)c1cc(C)ccc1OC
InChIInChI=1S/C16H25NO2/c1-6-13(7-2)16(18)17-12(4)14-10-11(3)8-9-15(14)19-5/h8-10,12-13H,6-7H2,1-5H3,(H,17,18)
InChIKeyPXNKHLFMHGZONB-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.62
Rot. Bonds6

About 2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide

2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide (PubChem CID 78813044) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide
PubChem CID78813044
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide
SMILESCCC(CC)C(=O)NC(C)c1cc(C)ccc1OC
InChIInChI=1S/C16H25NO2/c1-6-13(7-2)16(18)17-12(4)14-10-11(3)8-9-15(14)19-5/h8-10,12-13H,6-7H2,1-5H3,(H,17,18)
InChIKeyPXNKHLFMHGZONB-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 43697668
2-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]pentanamide
CID 43703461
1-(1-hydroxybutan-2-yl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]urea
CID 110892420
3-amino-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 106111523
3-amino-4-[1-(2-methoxy-5-methylphenyl)ethylamino]-4-oxobutanoic acid
CID 64896852
(2R)-2-(carbamoylamino)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51647471
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-methylpentanoate
CID 43732405
methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]butanoate
CID 115352551
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide
CID 51212300

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide (CID 78813044) is 2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide is CCC(CC)C(=O)NC(C)c1cc(C)ccc1OC.
What is the InChIKey of 2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide?
The InChIKey is PXNKHLFMHGZONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-13(7-2)16(18)17-12(4)14-10-11(3)8-9-15(14)19-5/h8-10,12-13H,6-7H2,1-5H3,(H,17,18).
What are the key properties of 2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide?
2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide has a molecular weight of 263.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 78813044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).