(2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide

C22H29NO3 — CID 94015813

IUPAC(2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
SMILESCC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1ccccc1OC
InChIInChI=1S/C22H29NO3/c1-5-20(26-19-13-12-16(2)17(3)15-19)22(24)23-14-8-10-18-9-6-7-11-21(18)25-4/h6-7,9,11-13,15,20H,5,8,10,14H2,1-4H3,(H,23,24)/t20-/m1/s1
InChIKeyMOTMUBUSALDIIG-HXUWFJFHSA-N
MW355.48 g/mol
LogP4.22
Rot. Bonds9

About (2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide

(2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide (PubChem CID 94015813) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
PubChem CID94015813
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name(2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
SMILESCC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1ccccc1OC
InChIInChI=1S/C22H29NO3/c1-5-20(26-19-13-12-16(2)17(3)15-19)22(24)23-14-8-10-18-9-6-7-11-21(18)25-4/h6-7,9,11-13,15,20H,5,8,10,14H2,1-4H3,(H,23,24)/t20-/m1/s1
InChIKeyMOTMUBUSALDIIG-HXUWFJFHSA-N
XLogP4.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide
CID 132652282
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 92673251
(2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 99954339
2-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 132653883
2-(3,4-dimethylphenoxy)-N-(3-phenylpropyl)butanamide
CID 43905383
(2R)-N-butyl-2-(3,4-dimethylphenoxy)butanamide
CID 92683627
(2S)-N-butyl-2-(3,4-dimethylphenoxy)butanamide
CID 92683628
(2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
CID 94016048
2-(3,4-dimethylphenoxy)-N-ethylbutanamide
CID 43916377
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 92683465
N-[(2-methoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide
CID 53286332
2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide
CID 132655453

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide?
The IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide (CID 94015813) is (2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide.
What is the SMILES notation for (2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide?
The canonical SMILES for (2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide is CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1ccccc1OC.
What is the InChIKey of (2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide?
The InChIKey is MOTMUBUSALDIIG-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H29NO3/c1-5-20(26-19-13-12-16(2)17(3)15-19)22(24)23-14-8-10-18-9-6-7-11-21(18)25-4/h6-7,9,11-13,15,20H,5,8,10,14H2,1-4H3,(H,23,24)/t20-/m1/s1.
What are the key properties of (2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide?
(2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide has a molecular weight of 355.48 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide is sourced from PubChem (CID 94015813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).