N-(2-methylprop-2-enyl)-2-phenoxybutanamide

C14H19NO2 — CID 114618279

IUPACN-(2-methylprop-2-enyl)-2-phenoxybutanamide
SMILESC=C(C)CNC(=O)C(CC)Oc1ccccc1
InChIInChI=1S/C14H19NO2/c1-4-13(14(16)15-10-11(2)3)17-12-8-6-5-7-9-12/h5-9,13H,2,4,10H2,1,3H3,(H,15,16)
InChIKeyKOFSNEGVZHZWKG-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.54
Rot. Bonds6

About N-(2-methylprop-2-enyl)-2-phenoxybutanamide

N-(2-methylprop-2-enyl)-2-phenoxybutanamide (PubChem CID 114618279) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-2-phenoxybutanamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-2-phenoxybutanamide
PubChem CID114618279
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(2-methylprop-2-enyl)-2-phenoxybutanamide
SMILESC=C(C)CNC(=O)C(CC)Oc1ccccc1
InChIInChI=1S/C14H19NO2/c1-4-13(14(16)15-10-11(2)3)17-12-8-6-5-7-9-12/h5-9,13H,2,4,10H2,1,3H3,(H,15,16)
InChIKeyKOFSNEGVZHZWKG-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(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
methyl 2-(2-phenoxybutanoylamino)acetate
CID 4239659
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
2-phenoxy-N-[8-(2-phenoxybutanoylamino)octyl]butanamide
CID 3440313
N-[2-(2-hydroxyethoxy)ethyl]-2-phenoxybutanamide
CID 60654444
N-[(2R)-2-hydroxypropyl]-2-phenoxybutanamide
CID 83031492
N-(2-methoxyethyl)-2-phenoxybutanamide
CID 2932914
4-(2-phenoxybutanoylamino)butanoic acid
CID 43091993
N-(3-methyl-2-propan-2-ylbutyl)-2-phenoxybutanamide
CID 102914465
2-methyl-3-(2-phenoxybutanoylamino)propanoic acid
CID 62676386

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-2-phenoxybutanamide?
The IUPAC name of N-(2-methylprop-2-enyl)-2-phenoxybutanamide (CID 114618279) is N-(2-methylprop-2-enyl)-2-phenoxybutanamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)-2-phenoxybutanamide?
The canonical SMILES for N-(2-methylprop-2-enyl)-2-phenoxybutanamide is C=C(C)CNC(=O)C(CC)Oc1ccccc1.
What is the InChIKey of N-(2-methylprop-2-enyl)-2-phenoxybutanamide?
The InChIKey is KOFSNEGVZHZWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-13(14(16)15-10-11(2)3)17-12-8-6-5-7-9-12/h5-9,13H,2,4,10H2,1,3H3,(H,15,16).
What are the key properties of N-(2-methylprop-2-enyl)-2-phenoxybutanamide?
N-(2-methylprop-2-enyl)-2-phenoxybutanamide has a molecular weight of 233.31 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-2-phenoxybutanamide is sourced from PubChem (CID 114618279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).