(2S)-N-butyl-2-(2-methylphenoxy)butanamide

C15H23NO2 — CID 30398295

IUPAC(2S)-N-butyl-2-(2-methylphenoxy)butanamide
SMILESCCCCNC(=O)[C@H](CC)Oc1ccccc1C
InChIInChI=1S/C15H23NO2/c1-4-6-11-16-15(17)13(5-2)18-14-10-8-7-9-12(14)3/h7-10,13H,4-6,11H2,1-3H3,(H,16,17)/t13-/m0/s1
InChIKeyJNIKLBOIMOMDDX-ZDUSSCGKSA-N
MW249.35 g/mol
LogP3.07
Rot. Bonds7

About (2S)-N-butyl-2-(2-methylphenoxy)butanamide

(2S)-N-butyl-2-(2-methylphenoxy)butanamide (PubChem CID 30398295) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2S)-N-butyl-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-butyl-2-(2-methylphenoxy)butanamide
PubChem CID30398295
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(2S)-N-butyl-2-(2-methylphenoxy)butanamide
SMILESCCCCNC(=O)[C@H](CC)Oc1ccccc1C
InChIInChI=1S/C15H23NO2/c1-4-6-11-16-15(17)13(5-2)18-14-10-8-7-9-12(14)3/h7-10,13H,4-6,11H2,1-3H3,(H,16,17)/t13-/m0/s1
InChIKeyJNIKLBOIMOMDDX-ZDUSSCGKSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
4-[2-(2-methylphenoxy)butanoylamino]butanoic acid
CID 119352556
N-[3-(methylamino)propyl]-2-(2-methylphenoxy)butanamide;hydrochloride
CID 119434352
(2S)-N-butyl-2-(2-methoxyphenoxy)butanamide
CID 40769022
3-[2-(2-methylphenoxy)butanoylamino]propanoic acid
CID 119351050
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 93487721
2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide
CID 132655453
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 93486249
(2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide
CID 99952065
(2S)-2-naphthalen-1-yloxy-N-pentylbutanamide
CID 94012357
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 92682211

Frequently Asked Questions

What is the IUPAC name of (2S)-N-butyl-2-(2-methylphenoxy)butanamide?
The IUPAC name of (2S)-N-butyl-2-(2-methylphenoxy)butanamide (CID 30398295) is (2S)-N-butyl-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for (2S)-N-butyl-2-(2-methylphenoxy)butanamide?
The canonical SMILES for (2S)-N-butyl-2-(2-methylphenoxy)butanamide is CCCCNC(=O)[C@H](CC)Oc1ccccc1C.
What is the InChIKey of (2S)-N-butyl-2-(2-methylphenoxy)butanamide?
The InChIKey is JNIKLBOIMOMDDX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-6-11-16-15(17)13(5-2)18-14-10-8-7-9-12(14)3/h7-10,13H,4-6,11H2,1-3H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-N-butyl-2-(2-methylphenoxy)butanamide?
(2S)-N-butyl-2-(2-methylphenoxy)butanamide has a molecular weight of 249.35 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-butyl-2-(2-methylphenoxy)butanamide is sourced from PubChem (CID 30398295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).