N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide

C20H25NO4 — CID 43910432

IUPACN-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
SMILESCCC(Oc1cccc(C)c1C)C(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H25NO4/c1-6-16(25-17-9-7-8-13(2)14(17)3)20(22)21-15-10-11-18(23-4)19(12-15)24-5/h7-12,16H,6H2,1-5H3,(H,21,22)
InChIKeyLBHNYGJHLJGEPI-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.12
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide

N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide (PubChem CID 43910432) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
PubChem CID43910432
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
SMILESCCC(Oc1cccc(C)c1C)C(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H25NO4/c1-6-16(25-17-9-7-8-13(2)14(17)3)20(22)21-15-10-11-18(23-4)19(12-15)24-5/h7-12,16H,6H2,1-5H3,(H,21,22)
InChIKeyLBHNYGJHLJGEPI-UHFFFAOYSA-N
XLogP4.12
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide
CID 92680294
N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 44782476
(2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 92682220
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 28575504
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 40742385
N-(4-bromophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43885352
(2R)-2-(2,3-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 92679319
(2S)-N-(3-chloro-4-fluorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 94012112
methyl 2-[[(2S)-2-(2,3-dimethylphenoxy)butanoyl]amino]-4,5-dimethoxybenzoate
CID 28631989
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 28567804
(2R)-N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)butanamide
CID 92647011
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide (CID 43910432) is N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide is CCC(Oc1cccc(C)c1C)C(=O)Nc1ccc(OC)c(OC)c1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide?
The InChIKey is LBHNYGJHLJGEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-6-16(25-17-9-7-8-13(2)14(17)3)20(22)21-15-10-11-18(23-4)19(12-15)24-5/h7-12,16H,6H2,1-5H3,(H,21,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide?
N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide has a molecular weight of 343.42 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide is sourced from PubChem (CID 43910432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).