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

C24H33NO3 — CID 92676986

IUPAC(2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
SMILESCC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCc1ccc(OC(C)C)cc1
InChIInChI=1S/C24H33NO3/c1-6-22(28-23-11-7-9-18(4)19(23)5)24(26)25-16-8-10-20-12-14-21(15-13-20)27-17(2)3/h7,9,11-15,17,22H,6,8,10,16H2,1-5H3,(H,25,26)/t22-/m1/s1
InChIKeyUTMATPZLZNHNDA-JOCHJYFZSA-N
MW383.53 g/mol
LogP5.00
Rot. Bonds10

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

(2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide (PubChem CID 92676986) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is (2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
PubChem CID92676986
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name(2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
SMILESCC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCc1ccc(OC(C)C)cc1
InChIInChI=1S/C24H33NO3/c1-6-22(28-23-11-7-9-18(4)19(23)5)24(26)25-16-8-10-20-12-14-21(15-13-20)27-17(2)3/h7,9,11-15,17,22H,6,8,10,16H2,1-5H3,(H,25,26)/t22-/m1/s1
InChIKeyUTMATPZLZNHNDA-JOCHJYFZSA-N
XLogP5.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 55.00
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

(2R)-2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 28574055
(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 30381733
(2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
CID 99951781
N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide
CID 133240114
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 93487721
(2S)-N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 94015885
2-(2,3-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 46778407
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 28575504
2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide
CID 132658170
(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2,3-dimethylphenoxy)propanamide
CID 94011813
2-(2,3-dimethylphenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133240129
(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide
CID 99952431

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide?
The IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide (CID 92676986) is (2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide.
What is the SMILES notation for (2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide?
The canonical SMILES for (2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide is CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCc1ccc(OC(C)C)cc1.
What is the InChIKey of (2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide?
The InChIKey is UTMATPZLZNHNDA-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H33NO3/c1-6-22(28-23-11-7-9-18(4)19(23)5)24(26)25-16-8-10-20-12-14-21(15-13-20)27-17(2)3/h7,9,11-15,17,22H,6,8,10,16H2,1-5H3,(H,25,26)/t22-/m1/s1.
What are the key properties of (2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide?
(2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide has a molecular weight of 383.53 g/mol, XLogP of 5.00, 10 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-[3-(4-propan-2-yloxyphenyl)propyl]butanamide is sourced from PubChem (CID 92676986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).