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

C22H29NO4 — CID 43916329

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylphenoxy)butanamide
SMILESCCC(Oc1cc(C)ccc1C)C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C22H29NO4/c1-6-18(27-20-13-15(2)7-8-16(20)3)22(24)23-12-11-17-9-10-19(25-4)21(14-17)26-5/h7-10,13-14,18H,6,11-12H2,1-5H3,(H,23,24)
InChIKeyNNLLGIPBKNXXGP-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.84
Rot. Bonds9

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylphenoxy)butanamide (PubChem CID 43916329) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylphenoxy)butanamide
PubChem CID43916329
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylphenoxy)butanamide
SMILESCCC(Oc1cc(C)ccc1C)C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C22H29NO4/c1-6-18(27-20-13-15(2)7-8-16(20)3)22(24)23-12-11-17-9-10-19(25-4)21(14-17)26-5/h7-10,13-14,18H,6,11-12H2,1-5H3,(H,23,24)
InChIKeyNNLLGIPBKNXXGP-UHFFFAOYSA-N
XLogP3.84
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 92683465
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide
CID 2862617
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxybutanamide
CID 43908219
(2R)-2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 28635073
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 99953693
(2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide
CID 92673118
2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide
CID 53284304
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylphenoxy)butanamide
CID 19175359
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133186748
(2R)-N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 28565428
2-(2-methoxy-4-methylphenoxy)butanehydrazide
CID 63576549
(2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 92682902

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylphenoxy)butanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylphenoxy)butanamide (CID 43916329) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylphenoxy)butanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylphenoxy)butanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylphenoxy)butanamide is CCC(Oc1cc(C)ccc1C)C(=O)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylphenoxy)butanamide?
The InChIKey is NNLLGIPBKNXXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-6-18(27-20-13-15(2)7-8-16(20)3)22(24)23-12-11-17-9-10-19(25-4)21(14-17)26-5/h7-10,13-14,18H,6,11-12H2,1-5H3,(H,23,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylphenoxy)butanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylphenoxy)butanamide has a molecular weight of 371.48 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylphenoxy)butanamide is sourced from PubChem (CID 43916329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).