N-ethyl-2,2-dimethyl-3-phenylbutanamide

C14H21NO — CID 59419624

IUPACN-ethyl-2,2-dimethyl-3-phenylbutanamide
SMILESCCNC(=O)C(C)(C)C(C)c1ccccc1
InChIInChI=1S/C14H21NO/c1-5-15-13(16)14(3,4)11(2)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H,15,16)
InChIKeyKYTNKEMIONZBCH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.95
Rot. Bonds4

About N-ethyl-2,2-dimethyl-3-phenylbutanamide

N-ethyl-2,2-dimethyl-3-phenylbutanamide (PubChem CID 59419624) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-phenylbutanamide.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-phenylbutanamide
PubChem CID59419624
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-ethyl-2,2-dimethyl-3-phenylbutanamide
SMILESCCNC(=O)C(C)(C)C(C)c1ccccc1
InChIInChI=1S/C14H21NO/c1-5-15-13(16)14(3,4)11(2)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H,15,16)
InChIKeyKYTNKEMIONZBCH-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(ethylamino)-2-methyl-N-(2-phenylpropyl)propanamide
CID 62834242
4-amino-N-ethyl-2,3-dimethyl-2-phenylbutanamide;methanol
CID 143150724
2-ethyl-2-hydroxy-3-phenylbutanoic acid
CID 79303573
N-ethyl-2,2-dimethyl-3-phenylbutan-1-amine
CID 59419630
1-(2,2-diphenylethyl)-3-ethylurea
CID 47133841
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
N-ethyl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78952919
2-amino-N-ethyl-2-phenoxypropanamide
CID 174406190
N-[2-[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111342687
ethane;N-ethyl-2,2-difluoro-2-phenylacetamide;2-fluoro-2-phenylacetamide;molecular hydrogen
CID 165408243
1-ethyl-3-(2-phenylpropan-2-yl)urea
CID 110490506
N-ethyl-3-hydroxy-2-phenylpropanamide
CID 13215112

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-3-phenylbutanamide?
The IUPAC name of N-ethyl-2,2-dimethyl-3-phenylbutanamide (CID 59419624) is N-ethyl-2,2-dimethyl-3-phenylbutanamide.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-phenylbutanamide?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-phenylbutanamide is CCNC(=O)C(C)(C)C(C)c1ccccc1.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-phenylbutanamide?
The InChIKey is KYTNKEMIONZBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-15-13(16)14(3,4)11(2)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H,15,16).
What are the key properties of N-ethyl-2,2-dimethyl-3-phenylbutanamide?
N-ethyl-2,2-dimethyl-3-phenylbutanamide has a molecular weight of 219.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-3-phenylbutanamide is sourced from PubChem (CID 59419624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).