2-methyl-N-[2-(4-phenoxyphenyl)ethyl]butanamide

C19H23NO2 — CID 126657315

IUPAC2-methyl-N-[2-(4-phenoxyphenyl)ethyl]butanamide
SMILESCCC(C)C(=O)NCCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-3-15(2)19(21)20-14-13-16-9-11-18(12-10-16)22-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H,20,21)
InChIKeyGLFSWEMXHOMGIF-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.18
Rot. Bonds7

About 2-methyl-N-[2-(4-phenoxyphenyl)ethyl]butanamide

2-methyl-N-[2-(4-phenoxyphenyl)ethyl]butanamide (PubChem CID 126657315) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-phenoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-phenoxyphenyl)ethyl]butanamide
PubChem CID126657315
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-methyl-N-[2-(4-phenoxyphenyl)ethyl]butanamide
SMILESCCC(C)C(=O)NCCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-3-15(2)19(21)20-14-13-16-9-11-18(12-10-16)22-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H,20,21)
InChIKeyGLFSWEMXHOMGIF-UHFFFAOYSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-(4-phenoxyphenyl)ethyl]propanamide
CID 22953723
(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 94018114
4-[2-(2-methylbutanoylamino)ethyl]benzoic acid
CID 43665707
2-[4-[1-oxo-1-[2-(4-phenoxyphenyl)ethylamino]propan-2-yl]oxyphenyl]propanoic acid
CID 142868325
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride
CID 119547405
(2S)-2-iodo-3-[4-[(2R)-1-oxo-1-[2-(4-phenoxyphenyl)ethylamino]propan-2-yl]oxyphenyl]propanoyl iodide
CID 142845108
(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 67640844
(3R)-3-amino-2-hydroxy-5-methylsulfanyl-N-[2-(4-phenoxyphenyl)ethyl]pentanamide;hydrochloride
CID 70064787
2-[4-[2-(2,3-dimethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529051
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
(2S)-2-bromo-N-(2-phenylethyl)butanamide
CID 51659927

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-phenoxyphenyl)ethyl]butanamide?
The IUPAC name of 2-methyl-N-[2-(4-phenoxyphenyl)ethyl]butanamide (CID 126657315) is 2-methyl-N-[2-(4-phenoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 2-methyl-N-[2-(4-phenoxyphenyl)ethyl]butanamide?
The canonical SMILES for 2-methyl-N-[2-(4-phenoxyphenyl)ethyl]butanamide is CCC(C)C(=O)NCCc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-methyl-N-[2-(4-phenoxyphenyl)ethyl]butanamide?
The InChIKey is GLFSWEMXHOMGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-15(2)19(21)20-14-13-16-9-11-18(12-10-16)22-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-N-[2-(4-phenoxyphenyl)ethyl]butanamide?
2-methyl-N-[2-(4-phenoxyphenyl)ethyl]butanamide has a molecular weight of 297.40 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-phenoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 126657315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).