(2R)-2-(3,5-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide

C22H29NO3 — CID 99133296

IUPAC(2R)-2-(3,5-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
SMILESCC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C22H29NO3/c1-6-21(26-20-11-16(4)10-17(5)12-20)22(24)23-14-18-8-7-9-19(13-18)25-15(2)3/h7-13,15,21H,6,14H2,1-5H3,(H,23,24)/t21-/m1/s1
InChIKeyGQYXLDJGKHRWSZ-OAQYLSRUSA-N
MW355.48 g/mol
LogP4.56
Rot. Bonds8

About (2R)-2-(3,5-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide

(2R)-2-(3,5-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide (PubChem CID 99133296) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
PubChem CID99133296
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name(2R)-2-(3,5-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
SMILESCC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C22H29NO3/c1-6-21(26-20-11-16(4)10-17(5)12-20)22(24)23-14-18-8-7-9-19(13-18)25-15(2)3/h7-13,15,21H,6,14H2,1-5H3,(H,23,24)/t21-/m1/s1
InChIKeyGQYXLDJGKHRWSZ-OAQYLSRUSA-N
XLogP4.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 43904963
2-(3,5-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 53288985
2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53288701
(2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99132965
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
(2S)-2-(2-fluorophenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99132312
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 43911069
(2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 99131487
(2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 94019474
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 46769433
2-(3,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide
CID 132652025
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 99132130

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
The IUPAC name of (2R)-2-(3,5-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide (CID 99133296) is (2R)-2-(3,5-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide.
What is the SMILES notation for (2R)-2-(3,5-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
The canonical SMILES for (2R)-2-(3,5-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide is CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1cccc(OC(C)C)c1.
What is the InChIKey of (2R)-2-(3,5-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
The InChIKey is GQYXLDJGKHRWSZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H29NO3/c1-6-21(26-20-11-16(4)10-17(5)12-20)22(24)23-14-18-8-7-9-19(13-18)25-15(2)3/h7-13,15,21H,6,14H2,1-5H3,(H,23,24)/t21-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide has a molecular weight of 355.48 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide is sourced from PubChem (CID 99133296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).