(2S)-2-(2-methoxyphenoxy)-N-(3-propan-2-yloxypropyl)butanamide

C17H27NO4 — CID 9172862

IUPAC(2S)-2-(2-methoxyphenoxy)-N-(3-propan-2-yloxypropyl)butanamide
SMILESCC[C@H](Oc1ccccc1OC)C(=O)NCCCOC(C)C
InChIInChI=1S/C17H27NO4/c1-5-14(17(19)18-11-8-12-21-13(2)3)22-16-10-7-6-9-15(16)20-4/h6-7,9-10,13-14H,5,8,11-12H2,1-4H3,(H,18,19)/t14-/m0/s1
InChIKeyXOJVCLVRXGROMC-AWEZNQCLSA-N
MW309.41 g/mol
LogP2.78
Rot. Bonds10

About (2S)-2-(2-methoxyphenoxy)-N-(3-propan-2-yloxypropyl)butanamide

(2S)-2-(2-methoxyphenoxy)-N-(3-propan-2-yloxypropyl)butanamide (PubChem CID 9172862) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2S)-2-(2-methoxyphenoxy)-N-(3-propan-2-yloxypropyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(2-methoxyphenoxy)-N-(3-propan-2-yloxypropyl)butanamide
PubChem CID9172862
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Name(2S)-2-(2-methoxyphenoxy)-N-(3-propan-2-yloxypropyl)butanamide
SMILESCC[C@H](Oc1ccccc1OC)C(=O)NCCCOC(C)C
InChIInChI=1S/C17H27NO4/c1-5-14(17(19)18-11-8-12-21-13(2)3)22-16-10-7-6-9-15(16)20-4/h6-7,9-10,13-14H,5,8,11-12H2,1-4H3,(H,18,19)/t14-/m0/s1
InChIKeyXOJVCLVRXGROMC-AWEZNQCLSA-N
XLogP2.78
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 43885641
(2S)-N-butyl-2-(2-methoxyphenoxy)butanamide
CID 40769022
2-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 132653883
2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133211089
2-(2-methoxyphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide
CID 132655492
N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide
CID 132652633
2-(2-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide
CID 133250067
2-(2-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 133239943
(2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide
CID 40747099
(2S)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 99959864
2-(2,3-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 133240125
2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53286217

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxyphenoxy)-N-(3-propan-2-yloxypropyl)butanamide?
The IUPAC name of (2S)-2-(2-methoxyphenoxy)-N-(3-propan-2-yloxypropyl)butanamide (CID 9172862) is (2S)-2-(2-methoxyphenoxy)-N-(3-propan-2-yloxypropyl)butanamide.
What is the SMILES notation for (2S)-2-(2-methoxyphenoxy)-N-(3-propan-2-yloxypropyl)butanamide?
The canonical SMILES for (2S)-2-(2-methoxyphenoxy)-N-(3-propan-2-yloxypropyl)butanamide is CC[C@H](Oc1ccccc1OC)C(=O)NCCCOC(C)C.
What is the InChIKey of (2S)-2-(2-methoxyphenoxy)-N-(3-propan-2-yloxypropyl)butanamide?
The InChIKey is XOJVCLVRXGROMC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27NO4/c1-5-14(17(19)18-11-8-12-21-13(2)3)22-16-10-7-6-9-15(16)20-4/h6-7,9-10,13-14H,5,8,11-12H2,1-4H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-(2-methoxyphenoxy)-N-(3-propan-2-yloxypropyl)butanamide?
(2S)-2-(2-methoxyphenoxy)-N-(3-propan-2-yloxypropyl)butanamide has a molecular weight of 309.41 g/mol, XLogP of 2.78, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxyphenoxy)-N-(3-propan-2-yloxypropyl)butanamide is sourced from PubChem (CID 9172862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).