N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide

C15H23NO3 — CID 4163313

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
SMILESCOc1ccc(C(C)NC(=O)CC(C)C)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-10(2)8-15(17)16-11(3)13-7-6-12(18-4)9-14(13)19-5/h6-7,9-11H,8H2,1-5H3,(H,16,17)
InChIKeyGKSDKJBBEGUVND-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.93
Rot. Bonds6

About N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide

N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide (PubChem CID 4163313) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
PubChem CID4163313
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
SMILESCOc1ccc(C(C)NC(=O)CC(C)C)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-10(2)8-15(17)16-11(3)13-7-6-12(18-4)9-14(13)19-5/h6-7,9-11H,8H2,1-5H3,(H,16,17)
InChIKeyGKSDKJBBEGUVND-UHFFFAOYSA-N
XLogP2.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 134053765
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 134053548
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79286643
3-acetamido-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 134053791
2-(3,4-dichlorophenyl)-N-[1-(2,4-dimethoxyphenyl)ethyl]acetamide
CID 55580869
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-enylamino)acetamide
CID 79285372
1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea
CID 47216355
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 78870898
(2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 79011400
2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 43699664
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(2-phenylethoxy)acetamide
CID 86871732
2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28560338

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide (CID 4163313) is N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide is COc1ccc(C(C)NC(=O)CC(C)C)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide?
The InChIKey is GKSDKJBBEGUVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(2)8-15(17)16-11(3)13-7-6-12(18-4)9-14(13)19-5/h6-7,9-11H,8H2,1-5H3,(H,16,17).
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide?
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide has a molecular weight of 265.35 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 4163313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).