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

C22H23N3O — CID 100689903

IUPAC(2R)-2-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide
SMILESCC[C@@H](C(=O)NCCc1cnc(-c2ccccc2)nc1)c1ccccc1
InChIInChI=1S/C22H23N3O/c1-2-20(18-9-5-3-6-10-18)22(26)23-14-13-17-15-24-21(25-16-17)19-11-7-4-8-12-19/h3-12,15-16,20H,2,13-14H2,1H3,(H,23,26)/t20-/m1/s1
InChIKeyRFEZSNXMEFRLFP-HXUWFJFHSA-N
MW345.45 g/mol
LogP4.00
Rot. Bonds7

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

(2R)-2-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide (PubChem CID 100689903) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is (2R)-2-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide
PubChem CID100689903
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name(2R)-2-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide
SMILESCC[C@@H](C(=O)NCCc1cnc(-c2ccccc2)nc1)c1ccccc1
InChIInChI=1S/C22H23N3O/c1-2-20(18-9-5-3-6-10-18)22(26)23-14-13-17-15-24-21(25-16-17)19-11-7-4-8-12-19/h3-12,15-16,20H,2,13-14H2,1H3,(H,23,26)/t20-/m1/s1
InChIKeyRFEZSNXMEFRLFP-HXUWFJFHSA-N
XLogP4.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-2-phenylbutanamide
CID 61018971
(2S)-2-phenyl-N-(3-phenylpropyl)butanamide
CID 2300118
3-amino-2-phenyl-N-(2-phenylethyl)propanamide
CID 62879042
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide
CID 91813375
5-methyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 91813357
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-phenylbutanoate
CID 46619032
2-(3,4-dihydroxyphenyl)-N-(2-phenylethyl)butanamide
CID 139641554
2-phenyl-N-[3-(2-phenylimidazol-1-yl)propyl]butanamide
CID 71789005
3-amino-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylpropanamide
CID 62878017
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenylbutanamide
CID 90515546
[2-oxo-2-(2-phenylethylamino)ethyl] (2R)-2-phenylbutanoate
CID 7811561

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide?
The IUPAC name of (2R)-2-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide (CID 100689903) is (2R)-2-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide.
What is the SMILES notation for (2R)-2-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide?
The canonical SMILES for (2R)-2-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide is CC[C@@H](C(=O)NCCc1cnc(-c2ccccc2)nc1)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide?
The InChIKey is RFEZSNXMEFRLFP-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23N3O/c1-2-20(18-9-5-3-6-10-18)22(26)23-14-13-17-15-24-21(25-16-17)19-11-7-4-8-12-19/h3-12,15-16,20H,2,13-14H2,1H3,(H,23,26)/t20-/m1/s1.
What are the key properties of (2R)-2-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide?
(2R)-2-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide has a molecular weight of 345.45 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide is sourced from PubChem (CID 100689903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).