N-(4-phenylbutan-2-yl)acetamide

C12H17NO — CID 541808

IUPACN-(4-phenylbutan-2-yl)acetamide
SMILESCC(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C12H17NO/c1-10(13-11(2)14)8-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,13,14)
InChIKeyKQSKZCWLCIETEF-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.14
Rot. Bonds4

About N-(4-phenylbutan-2-yl)acetamide

N-(4-phenylbutan-2-yl)acetamide (PubChem CID 541808) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)acetamide
PubChem CID541808
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(4-phenylbutan-2-yl)acetamide
SMILESCC(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C12H17NO/c1-10(13-11(2)14)8-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,13,14)
InChIKeyKQSKZCWLCIETEF-UHFFFAOYSA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of N-(4-phenylbutan-2-yl)acetamide (CID 541808) is N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)acetamide is CC(=O)NC(C)CCc1ccccc1.
What is the InChIKey of N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is KQSKZCWLCIETEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(13-11(2)14)8-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,13,14).
What are the key properties of N-(4-phenylbutan-2-yl)acetamide?
N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 191.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 541808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).