N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5-hydroxypentanamide

C17H27NO4 — CID 165352389

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5-hydroxypentanamide
SMILESCCC(CCCO)C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H27NO4/c1-4-14(6-5-11-19)17(20)18-10-9-13-7-8-15(21-2)16(12-13)22-3/h7-8,12,14,19H,4-6,9-11H2,1-3H3,(H,18,20)
InChIKeyVPNFJYQKGWYMKR-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.16
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5-hydroxypentanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5-hydroxypentanamide (PubChem CID 165352389) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5-hydroxypentanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5-hydroxypentanamide
PubChem CID165352389
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5-hydroxypentanamide
SMILESCCC(CCCO)C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H27NO4/c1-4-14(6-5-11-19)17(20)18-10-9-13-7-8-15(21-2)16(12-13)22-3/h7-8,12,14,19H,4-6,9-11H2,1-3H3,(H,18,20)
InChIKeyVPNFJYQKGWYMKR-UHFFFAOYSA-N
XLogP2.16
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide
CID 115186688
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide
CID 108542599
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186690
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylamino)pentanamide;methanol
CID 142207459
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
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N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 109048227
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2250640
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide
CID 2862617
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 92683465
N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopentan-2-yl]-3,3-dimethylbutanamide
CID 42702912

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5-hydroxypentanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5-hydroxypentanamide (CID 165352389) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5-hydroxypentanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5-hydroxypentanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5-hydroxypentanamide is CCC(CCCO)C(=O)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5-hydroxypentanamide?
The InChIKey is VPNFJYQKGWYMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4/c1-4-14(6-5-11-19)17(20)18-10-9-13-7-8-15(21-2)16(12-13)22-3/h7-8,12,14,19H,4-6,9-11H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5-hydroxypentanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5-hydroxypentanamide has a molecular weight of 309.41 g/mol, XLogP of 2.16, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5-hydroxypentanamide is sourced from PubChem (CID 165352389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).