N-(2-methylbutan-2-yl)-4-phenoxybutanamide

C15H23NO2 — CID 17372829

IUPACN-(2-methylbutan-2-yl)-4-phenoxybutanamide
SMILESCCC(C)(C)NC(=O)CCCOc1ccccc1
InChIInChI=1S/C15H23NO2/c1-4-15(2,3)16-14(17)11-8-12-18-13-9-6-5-7-10-13/h5-7,9-10H,4,8,11-12H2,1-3H3,(H,16,17)
InChIKeyHDCKUJRDEXNYDZ-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.15
Rot. Bonds7

About N-(2-methylbutan-2-yl)-4-phenoxybutanamide

N-(2-methylbutan-2-yl)-4-phenoxybutanamide (PubChem CID 17372829) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-4-phenoxybutanamide
PubChem CID17372829
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(2-methylbutan-2-yl)-4-phenoxybutanamide
SMILESCCC(C)(C)NC(=O)CCCOc1ccccc1
InChIInChI=1S/C15H23NO2/c1-4-15(2,3)16-14(17)11-8-12-18-13-9-6-5-7-10-13/h5-7,9-10H,4,8,11-12H2,1-3H3,(H,16,17)
InChIKeyHDCKUJRDEXNYDZ-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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

4-methyl-4-(4-phenoxybutanoylamino)pentanoic acid
CID 62041775
N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride
CID 119568655
5-chloro-N-(2-methyl-1-phenoxypropan-2-yl)pentanamide
CID 18349602
3-methyl-3-[4-(4-methylphenoxy)butanoylamino]butanoic acid
CID 64671666
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
2-[4-(4-bromophenoxy)butanoylamino]-2-methylbutanoic acid
CID 79789268
N'-acetyl-4-phenoxybutanehydrazide
CID 30905746
N-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide
CID 66168988
N-(4-hydroxy-2-methylbutan-2-yl)-4-(4-methylphenoxy)butanamide
CID 115968838
N-(1-amino-2-methylpropan-2-yl)-4-(4-iodophenoxy)butanamide
CID 119524592
(4-phenoxybutanoylamino) acetate
CID 175438575
4-methyl-4-[[2-(2-phenoxyethoxy)acetyl]amino]pentanoic acid
CID 119203692

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-4-phenoxybutanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-4-phenoxybutanamide (CID 17372829) is N-(2-methylbutan-2-yl)-4-phenoxybutanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-4-phenoxybutanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-4-phenoxybutanamide is CCC(C)(C)NC(=O)CCCOc1ccccc1.
What is the InChIKey of N-(2-methylbutan-2-yl)-4-phenoxybutanamide?
The InChIKey is HDCKUJRDEXNYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-15(2,3)16-14(17)11-8-12-18-13-9-6-5-7-10-13/h5-7,9-10H,4,8,11-12H2,1-3H3,(H,16,17).
What are the key properties of N-(2-methylbutan-2-yl)-4-phenoxybutanamide?
N-(2-methylbutan-2-yl)-4-phenoxybutanamide has a molecular weight of 249.35 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-4-phenoxybutanamide is sourced from PubChem (CID 17372829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).