N-methyl-N-phenoxybutanamide

C11H15NO2 — CID 91433690

IUPACN-methyl-N-phenoxybutanamide
SMILESCCCC(=O)N(C)Oc1ccccc1
InChIInChI=1S/C11H15NO2/c1-3-7-11(13)12(2)14-10-8-5-4-6-9-10/h4-6,8-9H,3,7H2,1-2H3
InChIKeyGOGVDXUSHGQYLN-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.24
Rot. Bonds4

About N-methyl-N-phenoxybutanamide

N-methyl-N-phenoxybutanamide (PubChem CID 91433690) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-methyl-N-phenoxybutanamide.

Molecular Properties

Compound NameN-methyl-N-phenoxybutanamide
PubChem CID91433690
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-methyl-N-phenoxybutanamide
SMILESCCCC(=O)N(C)Oc1ccccc1
InChIInChI=1S/C11H15NO2/c1-3-7-11(13)12(2)14-10-8-5-4-6-9-10/h4-6,8-9H,3,7H2,1-2H3
InChIKeyGOGVDXUSHGQYLN-UHFFFAOYSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(2-phenylphenoxy)butanamide
CID 125469945
phenyl butanoate
CID 20354
1-phenoxyhexan-3-one
CID 60797707
ethyl(phenoxy)carbamic acid
CID 87330615
alumane;phenyl butanoate
CID 174579212
phenyl butanoate;zirconium
CID 175596905
azane;N,N-dimethylmethanamine;formic acid;phenyl butanoate
CID 174766179
diphenoxymethyl butanoate
CID 66798097
diethyl 2-phenoxybutanedioate
CID 72766015
phenyl butanoate;phenyl propanoate
CID 139490117
carbonochloridic acid;phenyl butanoate
CID 174739979
ethyl 3-[methyl(3-phenoxypropyl)amino]propanoate
CID 19816767

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenoxybutanamide?
The IUPAC name of N-methyl-N-phenoxybutanamide (CID 91433690) is N-methyl-N-phenoxybutanamide.
What is the SMILES notation for N-methyl-N-phenoxybutanamide?
The canonical SMILES for N-methyl-N-phenoxybutanamide is CCCC(=O)N(C)Oc1ccccc1.
What is the InChIKey of N-methyl-N-phenoxybutanamide?
The InChIKey is GOGVDXUSHGQYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-7-11(13)12(2)14-10-8-5-4-6-9-10/h4-6,8-9H,3,7H2,1-2H3.
What are the key properties of N-methyl-N-phenoxybutanamide?
N-methyl-N-phenoxybutanamide has a molecular weight of 193.25 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenoxybutanamide is sourced from PubChem (CID 91433690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).