(2R)-2-(4-ethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide

C22H29NO3 — CID 99132925

IUPAC(2R)-2-(4-ethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
SMILESCCc1ccc(O[C@H](CC)C(=O)NCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C22H29NO3/c1-5-17-7-11-20(12-8-17)26-21(6-2)22(24)23-15-18-9-13-19(14-10-18)25-16(3)4/h7-14,16,21H,5-6,15H2,1-4H3,(H,23,24)/t21-/m1/s1
InChIKeyDUQOKVGSZYNSKR-OAQYLSRUSA-N
MW355.48 g/mol
LogP4.51
Rot. Bonds9

About (2R)-2-(4-ethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide

(2R)-2-(4-ethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide (PubChem CID 99132925) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is (2R)-2-(4-ethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(4-ethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
PubChem CID99132925
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name(2R)-2-(4-ethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
SMILESCCc1ccc(O[C@H](CC)C(=O)NCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C22H29NO3/c1-5-17-7-11-20(12-8-17)26-21(6-2)22(24)23-15-18-9-13-19(14-10-18)25-16(3)4/h7-14,16,21H,5-6,15H2,1-4H3,(H,23,24)/t21-/m1/s1
InChIKeyDUQOKVGSZYNSKR-OAQYLSRUSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 43911069
(2R)-2-(4-ethylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 99132972
N-[(4-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide
CID 53288894
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 99133250
(2R)-2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 28574055
2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53288701
(2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99132965
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 21368209
(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide
CID 99133064
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide
CID 99130903
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 9173431
2-amino-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 115152374

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide?
The IUPAC name of (2R)-2-(4-ethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide (CID 99132925) is (2R)-2-(4-ethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide.
What is the SMILES notation for (2R)-2-(4-ethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide?
The canonical SMILES for (2R)-2-(4-ethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide is CCc1ccc(O[C@H](CC)C(=O)NCc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of (2R)-2-(4-ethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide?
The InChIKey is DUQOKVGSZYNSKR-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H29NO3/c1-5-17-7-11-20(12-8-17)26-21(6-2)22(24)23-15-18-9-13-19(14-10-18)25-16(3)4/h7-14,16,21H,5-6,15H2,1-4H3,(H,23,24)/t21-/m1/s1.
What are the key properties of (2R)-2-(4-ethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide?
(2R)-2-(4-ethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide has a molecular weight of 355.48 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide is sourced from PubChem (CID 99132925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).