(2R)-N-[(2S)-2-ethylhexyl]-2-phenoxybutanamide

C18H29NO2 — CID 2165377

IUPAC(2R)-N-[(2S)-2-ethylhexyl]-2-phenoxybutanamide
SMILESCCCC[C@H](CC)CNC(=O)[C@@H](CC)Oc1ccccc1
InChIInChI=1S/C18H29NO2/c1-4-7-11-15(5-2)14-19-18(20)17(6-3)21-16-12-9-8-10-13-16/h8-10,12-13,15,17H,4-7,11,14H2,1-3H3,(H,19,20)/t15-,17+/m0/s1
InChIKeyUFJSFFXBCDXEQZ-DOTOQJQBSA-N
MW291.44 g/mol
LogP4.18
Rot. Bonds10

About (2R)-N-[(2S)-2-ethylhexyl]-2-phenoxybutanamide

(2R)-N-[(2S)-2-ethylhexyl]-2-phenoxybutanamide (PubChem CID 2165377) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (2R)-N-[(2S)-2-ethylhexyl]-2-phenoxybutanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-2-ethylhexyl]-2-phenoxybutanamide
PubChem CID2165377
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(2R)-N-[(2S)-2-ethylhexyl]-2-phenoxybutanamide
SMILESCCCC[C@H](CC)CNC(=O)[C@@H](CC)Oc1ccccc1
InChIInChI=1S/C18H29NO2/c1-4-7-11-15(5-2)14-19-18(20)17(6-3)21-16-12-9-8-10-13-16/h8-10,12-13,15,17H,4-7,11,14H2,1-3H3,(H,19,20)/t15-,17+/m0/s1
InChIKeyUFJSFFXBCDXEQZ-DOTOQJQBSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
(2S)-N-[(2R)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100546131
N-[(2R)-2-hydroxypropyl]-2-phenoxybutanamide
CID 83031492
2-phenoxy-N-[8-(2-phenoxybutanoylamino)octyl]butanamide
CID 3440313
N-(3-butoxypropyl)-2-phenoxybutanamide
CID 4557068
2-methyl-3-(2-phenoxybutanoylamino)propanoic acid
CID 62676386
N-(3-methyl-2-propan-2-ylbutyl)-2-phenoxybutanamide
CID 102914465
(2S)-2-phenoxy-N-[(2R)-2-[[(2R)-2-phenoxybutanoyl]amino]propyl]butanamide
CID 40579725
(2S)-2-amino-N-(2-ethylhexyl)-2-phenylacetamide
CID 104897632

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-2-ethylhexyl]-2-phenoxybutanamide?
The IUPAC name of (2R)-N-[(2S)-2-ethylhexyl]-2-phenoxybutanamide (CID 2165377) is (2R)-N-[(2S)-2-ethylhexyl]-2-phenoxybutanamide.
What is the SMILES notation for (2R)-N-[(2S)-2-ethylhexyl]-2-phenoxybutanamide?
The canonical SMILES for (2R)-N-[(2S)-2-ethylhexyl]-2-phenoxybutanamide is CCCC[C@H](CC)CNC(=O)[C@@H](CC)Oc1ccccc1.
What is the InChIKey of (2R)-N-[(2S)-2-ethylhexyl]-2-phenoxybutanamide?
The InChIKey is UFJSFFXBCDXEQZ-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-7-11-15(5-2)14-19-18(20)17(6-3)21-16-12-9-8-10-13-16/h8-10,12-13,15,17H,4-7,11,14H2,1-3H3,(H,19,20)/t15-,17+/m0/s1.
What are the key properties of (2R)-N-[(2S)-2-ethylhexyl]-2-phenoxybutanamide?
(2R)-N-[(2S)-2-ethylhexyl]-2-phenoxybutanamide has a molecular weight of 291.44 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-2-ethylhexyl]-2-phenoxybutanamide is sourced from PubChem (CID 2165377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).