N-[3-(1-hydroxyethyl)phenyl]-4-phenylbutanamide

C18H21NO2 — CID 11841414

IUPACN-[3-(1-hydroxyethyl)phenyl]-4-phenylbutanamide
SMILESCC(O)c1cccc(NC(=O)CCCc2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-14(20)16-10-6-11-17(13-16)19-18(21)12-5-9-15-7-3-2-4-8-15/h2-4,6-8,10-11,13-14,20H,5,9,12H2,1H3,(H,19,21)
InChIKeyMLINPENVCAKUTI-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.70
Rot. Bonds6

About N-[3-(1-hydroxyethyl)phenyl]-4-phenylbutanamide

N-[3-(1-hydroxyethyl)phenyl]-4-phenylbutanamide (PubChem CID 11841414) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[3-(1-hydroxyethyl)phenyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[3-(1-hydroxyethyl)phenyl]-4-phenylbutanamide
PubChem CID11841414
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[3-(1-hydroxyethyl)phenyl]-4-phenylbutanamide
SMILESCC(O)c1cccc(NC(=O)CCCc2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-14(20)16-10-6-11-17(13-16)19-18(21)12-5-9-15-7-3-2-4-8-15/h2-4,6-8,10-11,13-14,20H,5,9,12H2,1H3,(H,19,21)
InChIKeyMLINPENVCAKUTI-UHFFFAOYSA-N
XLogP3.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-4-phenylbutanamide?
The IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-4-phenylbutanamide (CID 11841414) is N-[3-(1-hydroxyethyl)phenyl]-4-phenylbutanamide.
What is the SMILES notation for N-[3-(1-hydroxyethyl)phenyl]-4-phenylbutanamide?
The canonical SMILES for N-[3-(1-hydroxyethyl)phenyl]-4-phenylbutanamide is CC(O)c1cccc(NC(=O)CCCc2ccccc2)c1.
What is the InChIKey of N-[3-(1-hydroxyethyl)phenyl]-4-phenylbutanamide?
The InChIKey is MLINPENVCAKUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14(20)16-10-6-11-17(13-16)19-18(21)12-5-9-15-7-3-2-4-8-15/h2-4,6-8,10-11,13-14,20H,5,9,12H2,1H3,(H,19,21).
What are the key properties of N-[3-(1-hydroxyethyl)phenyl]-4-phenylbutanamide?
N-[3-(1-hydroxyethyl)phenyl]-4-phenylbutanamide has a molecular weight of 283.37 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxyethyl)phenyl]-4-phenylbutanamide is sourced from PubChem (CID 11841414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).