N-ethyl-N,2-dimethyl-2-phenoxybutanamide

C14H21NO2 — CID 69237958

IUPACN-ethyl-N,2-dimethyl-2-phenoxybutanamide
SMILESCCN(C)C(=O)C(C)(CC)Oc1ccccc1
InChIInChI=1S/C14H21NO2/c1-5-14(3,13(16)15(4)6-2)17-12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3
InChIKeyODFABZPAYBPCIP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.71
Rot. Bonds5

About N-ethyl-N,2-dimethyl-2-phenoxybutanamide

N-ethyl-N,2-dimethyl-2-phenoxybutanamide (PubChem CID 69237958) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-ethyl-N,2-dimethyl-2-phenoxybutanamide.

Molecular Properties

Compound NameN-ethyl-N,2-dimethyl-2-phenoxybutanamide
PubChem CID69237958
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-ethyl-N,2-dimethyl-2-phenoxybutanamide
SMILESCCN(C)C(=O)C(C)(CC)Oc1ccccc1
InChIInChI=1S/C14H21NO2/c1-5-14(3,13(16)15(4)6-2)17-12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3
InChIKeyODFABZPAYBPCIP-UHFFFAOYSA-N
XLogP2.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenoxy)-2-methylbutanoic acid
CID 114987502
N-ethyl-2-(4-fluorophenoxy)-N,2-dimethylpropanamide
CID 86927380
2-(4-carbamoylphenoxy)-2-methylbutanoic acid
CID 114990324
2,2-diphenoxybutanoic acid
CID 159827255
(2R)-2-methyl-2-(4-nitrophenoxy)butanoic acid
CID 46834518
2-methyl-4-(methylamino)-4-oxo-2-phenoxybutanoic acid
CID 68880264
2,4-dimethyl-2-phenoxyheptanoic acid
CID 174503954
3-(carbamoylamino)-2-methyl-2-phenoxypropanoic acid
CID 69398776
2-(2-ethoxyphenoxy)-2-methylbutanoic acid
CID 114990551
(4R,5S)-4-ethyl-4,5-dihydroxy-5-phenoxyhexan-3-one
CID 124638845
2-methyl-2-phenoxy-3-(trifluoromethoxy)propanoic acid
CID 69123434
2-methyl-2-phenylmethoxybutanoic acid
CID 14683642

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,2-dimethyl-2-phenoxybutanamide?
The IUPAC name of N-ethyl-N,2-dimethyl-2-phenoxybutanamide (CID 69237958) is N-ethyl-N,2-dimethyl-2-phenoxybutanamide.
What is the SMILES notation for N-ethyl-N,2-dimethyl-2-phenoxybutanamide?
The canonical SMILES for N-ethyl-N,2-dimethyl-2-phenoxybutanamide is CCN(C)C(=O)C(C)(CC)Oc1ccccc1.
What is the InChIKey of N-ethyl-N,2-dimethyl-2-phenoxybutanamide?
The InChIKey is ODFABZPAYBPCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-14(3,13(16)15(4)6-2)17-12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3.
What are the key properties of N-ethyl-N,2-dimethyl-2-phenoxybutanamide?
N-ethyl-N,2-dimethyl-2-phenoxybutanamide has a molecular weight of 235.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2-dimethyl-2-phenoxybutanamide is sourced from PubChem (CID 69237958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).