N-(2-methylpropyl)-4-phenylbutanamide

C14H21NO — CID 2906742

IUPACN-(2-methylpropyl)-4-phenylbutanamide
SMILESCC(C)CNC(=O)CCCc1ccccc1
InChIInChI=1S/C14H21NO/c1-12(2)11-15-14(16)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,15,16)
InChIKeyULEYXYSLGQRTRI-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.78
Rot. Bonds6

About N-(2-methylpropyl)-4-phenylbutanamide

N-(2-methylpropyl)-4-phenylbutanamide (PubChem CID 2906742) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-phenylbutanamide
PubChem CID2906742
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(2-methylpropyl)-4-phenylbutanamide
SMILESCC(C)CNC(=O)CCCc1ccccc1
InChIInChI=1S/C14H21NO/c1-12(2)11-15-14(16)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,15,16)
InChIKeyULEYXYSLGQRTRI-UHFFFAOYSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-phenylbutanamide?
The IUPAC name of N-(2-methylpropyl)-4-phenylbutanamide (CID 2906742) is N-(2-methylpropyl)-4-phenylbutanamide.
What is the SMILES notation for N-(2-methylpropyl)-4-phenylbutanamide?
The canonical SMILES for N-(2-methylpropyl)-4-phenylbutanamide is CC(C)CNC(=O)CCCc1ccccc1.
What is the InChIKey of N-(2-methylpropyl)-4-phenylbutanamide?
The InChIKey is ULEYXYSLGQRTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12(2)11-15-14(16)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,15,16).
What are the key properties of N-(2-methylpropyl)-4-phenylbutanamide?
N-(2-methylpropyl)-4-phenylbutanamide has a molecular weight of 219.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-phenylbutanamide is sourced from PubChem (CID 2906742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).