4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide

C22H23N3O — CID 91813375

IUPAC4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide
SMILESO=C(CCCc1ccccc1)NCCc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C22H23N3O/c26-21(13-7-10-18-8-3-1-4-9-18)23-15-14-19-16-24-22(25-17-19)20-11-5-2-6-12-20/h1-6,8-9,11-12,16-17H,7,10,13-15H2,(H,23,26)
InChIKeyUHZGOMVKNVTYIP-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.83
Rot. Bonds8

About 4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide

4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide (PubChem CID 91813375) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide
PubChem CID91813375
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide
SMILESO=C(CCCc1ccccc1)NCCc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C22H23N3O/c26-21(13-7-10-18-8-3-1-4-9-18)23-15-14-19-16-24-22(25-17-19)20-11-5-2-6-12-20/h1-6,8-9,11-12,16-17H,7,10,13-15H2,(H,23,26)
InChIKeyUHZGOMVKNVTYIP-UHFFFAOYSA-N
XLogP3.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
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N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
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N-(2-phenylethyl)-4-trimethoxysilylbutanamide
CID 174613430
5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide
CID 55752390
(2R)-2-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide
CID 100689903
8-(4-phenylbutanoylamino)octanoic acid
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6-oxo-6-(3-phenylpropylamino)hexanoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide?
The IUPAC name of 4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide (CID 91813375) is 4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide.
What is the SMILES notation for 4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide?
The canonical SMILES for 4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide is O=C(CCCc1ccccc1)NCCc1cnc(-c2ccccc2)nc1.
What is the InChIKey of 4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide?
The InChIKey is UHZGOMVKNVTYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c26-21(13-7-10-18-8-3-1-4-9-18)23-15-14-19-16-24-22(25-17-19)20-11-5-2-6-12-20/h1-6,8-9,11-12,16-17H,7,10,13-15H2,(H,23,26).
What are the key properties of 4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide?
4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide has a molecular weight of 345.45 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide is sourced from PubChem (CID 91813375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).