N-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide

C16H25NO3 — CID 110408765

IUPACN-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCc1ccc(OC)cc1OC
InChIInChI=1S/C16H25NO3/c1-5-12(6-2)16(18)17-10-9-13-7-8-14(19-3)11-15(13)20-4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,17,18)
InChIKeyWCUDYBAMFBKPHA-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.80
Rot. Bonds8

About N-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide

N-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide (PubChem CID 110408765) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
PubChem CID110408765
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCc1ccc(OC)cc1OC
InChIInChI=1S/C16H25NO3/c1-5-12(6-2)16(18)17-10-9-13-7-8-14(19-3)11-15(13)20-4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,17,18)
InChIKeyWCUDYBAMFBKPHA-UHFFFAOYSA-N
XLogP2.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 94687467
3-[2-(2,4-dimethoxyphenyl)ethyl]-1,1-diethylurea
CID 110601497
tert-butyl N-[1-[2-(2,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 110607072
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-sulfanylpropanamide
CID 115168006
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 110601493
(2R)-2-bromo-N-[(2,4-dimethoxyphenyl)methyl]butanamide
CID 92864173
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methylsulfonylpropanamide
CID 110607051
2-(4-chlorophenoxy)-N-[2-(2,4-dimethoxyphenyl)ethyl]acetamide
CID 110601482
(2R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95296556
2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 43389932
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 110408855

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide (CID 110408765) is N-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCc1ccc(OC)cc1OC.
What is the InChIKey of N-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide?
The InChIKey is WCUDYBAMFBKPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-12(6-2)16(18)17-10-9-13-7-8-14(19-3)11-15(13)20-4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,17,18).
What are the key properties of N-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide?
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide has a molecular weight of 279.38 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide is sourced from PubChem (CID 110408765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).