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

C14H21NO — CID 670156

IUPACN-ethyl-3,3-dimethyl-N-phenylbutanamide
SMILESCCN(C(=O)CC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H21NO/c1-5-15(12-9-7-6-8-10-12)13(16)11-14(2,3)4/h6-10H,5,11H2,1-4H3
InChIKeyNAIVZXMERBBQII-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.48
Rot. Bonds3

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

N-ethyl-3,3-dimethyl-N-phenylbutanamide (PubChem CID 670156) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-N-phenylbutanamide.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-N-phenylbutanamide
PubChem CID670156
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-ethyl-3,3-dimethyl-N-phenylbutanamide
SMILESCCN(C(=O)CC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H21NO/c1-5-15(12-9-7-6-8-10-12)13(16)11-14(2,3)4/h6-10H,5,11H2,1-4H3
InChIKeyNAIVZXMERBBQII-UHFFFAOYSA-N
XLogP3.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-N-phenylbutanamide?
The IUPAC name of N-ethyl-3,3-dimethyl-N-phenylbutanamide (CID 670156) is N-ethyl-3,3-dimethyl-N-phenylbutanamide.
What is the SMILES notation for N-ethyl-3,3-dimethyl-N-phenylbutanamide?
The canonical SMILES for N-ethyl-3,3-dimethyl-N-phenylbutanamide is CCN(C(=O)CC(C)(C)C)c1ccccc1.
What is the InChIKey of N-ethyl-3,3-dimethyl-N-phenylbutanamide?
The InChIKey is NAIVZXMERBBQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-15(12-9-7-6-8-10-12)13(16)11-14(2,3)4/h6-10H,5,11H2,1-4H3.
What are the key properties of N-ethyl-3,3-dimethyl-N-phenylbutanamide?
N-ethyl-3,3-dimethyl-N-phenylbutanamide has a molecular weight of 219.33 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-N-phenylbutanamide is sourced from PubChem (CID 670156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).