N-butan-2-yl-N-(2-phenylethyl)acetamide

C14H21NO — CID 3050603

IUPACN-butan-2-yl-N-(2-phenylethyl)acetamide
SMILESCCC(C)N(CCc1ccccc1)C(C)=O
InChIInChI=1S/C14H21NO/c1-4-12(2)15(13(3)16)11-10-14-8-6-5-7-9-14/h5-9,12H,4,10-11H2,1-3H3
InChIKeyUFSCUJXZTYXKDD-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.88
Rot. Bonds5

About N-butan-2-yl-N-(2-phenylethyl)acetamide

N-butan-2-yl-N-(2-phenylethyl)acetamide (PubChem CID 3050603) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-butan-2-yl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(2-phenylethyl)acetamide
PubChem CID3050603
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-butan-2-yl-N-(2-phenylethyl)acetamide
SMILESCCC(C)N(CCc1ccccc1)C(C)=O
InChIInChI=1S/C14H21NO/c1-4-12(2)15(13(3)16)11-10-14-8-6-5-7-9-14/h5-9,12H,4,10-11H2,1-3H3
InChIKeyUFSCUJXZTYXKDD-UHFFFAOYSA-N
XLogP2.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(2-phenylethyl)acetamide?
The IUPAC name of N-butan-2-yl-N-(2-phenylethyl)acetamide (CID 3050603) is N-butan-2-yl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-butan-2-yl-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-butan-2-yl-N-(2-phenylethyl)acetamide is CCC(C)N(CCc1ccccc1)C(C)=O.
What is the InChIKey of N-butan-2-yl-N-(2-phenylethyl)acetamide?
The InChIKey is UFSCUJXZTYXKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-12(2)15(13(3)16)11-10-14-8-6-5-7-9-14/h5-9,12H,4,10-11H2,1-3H3.
What are the key properties of N-butan-2-yl-N-(2-phenylethyl)acetamide?
N-butan-2-yl-N-(2-phenylethyl)acetamide has a molecular weight of 219.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3050603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).