(2R)-2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide

C22H29NO3 — CID 28574055

IUPAC(2R)-2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
SMILESCC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C22H29NO3/c1-6-20(26-21-9-7-8-16(4)17(21)5)22(24)23-14-18-10-12-19(13-11-18)25-15(2)3/h7-13,15,20H,6,14H2,1-5H3,(H,23,24)/t20-/m1/s1
InChIKeyGZEQZDLUIDSWET-HXUWFJFHSA-N
MW355.48 g/mol
LogP4.56
Rot. Bonds8

About (2R)-2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide

(2R)-2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide (PubChem CID 28574055) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is (2R)-2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
PubChem CID28574055
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name(2R)-2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
SMILESCC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C22H29NO3/c1-6-20(26-21-9-7-8-16(4)17(21)5)22(24)23-14-18-10-12-19(13-11-18)25-15(2)3/h7-13,15,20H,6,14H2,1-5H3,(H,23,24)/t20-/m1/s1
InChIKeyGZEQZDLUIDSWET-HXUWFJFHSA-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-(2,3-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 46778407
(2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
CID 92676986
(2R)-N-[[4-(diethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)butanamide
CID 100623630
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 43911069
(2R)-2-(4-ethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 99132925
(2S)-2-(2,3-dimethylphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide
CID 99972645
(2R)-2-(2,3-dimethylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015566
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 28575504
2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911139
(2S)-2-(2,3-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 28635390
2-(2,3-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 43886298
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 99133250

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide?
The IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide (CID 28574055) is (2R)-2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide.
What is the SMILES notation for (2R)-2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide?
The canonical SMILES for (2R)-2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide is CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(OC(C)C)cc1.
What is the InChIKey of (2R)-2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide?
The InChIKey is GZEQZDLUIDSWET-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H29NO3/c1-6-20(26-21-9-7-8-16(4)17(21)5)22(24)23-14-18-10-12-19(13-11-18)25-15(2)3/h7-13,15,20H,6,14H2,1-5H3,(H,23,24)/t20-/m1/s1.
What are the key properties of (2R)-2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide?
(2R)-2-(2,3-dimethylphenoxy)-N-[(4-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-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide is sourced from PubChem (CID 28574055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).