3-acetamido-3-phenyl-N-(2-phenylpyrimidin-5-yl)propanamide

C21H20N4O2 — CID 134009235

IUPAC3-acetamido-3-phenyl-N-(2-phenylpyrimidin-5-yl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1cnc(-c2ccccc2)nc1)c1ccccc1
InChIInChI=1S/C21H20N4O2/c1-15(26)24-19(16-8-4-2-5-9-16)12-20(27)25-18-13-22-21(23-14-18)17-10-6-3-7-11-17/h2-11,13-14,19H,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyUAYJNEDESPUWHU-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.35
Rot. Bonds6

About 3-acetamido-3-phenyl-N-(2-phenylpyrimidin-5-yl)propanamide

3-acetamido-3-phenyl-N-(2-phenylpyrimidin-5-yl)propanamide (PubChem CID 134009235) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-acetamido-3-phenyl-N-(2-phenylpyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-phenyl-N-(2-phenylpyrimidin-5-yl)propanamide
PubChem CID134009235
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name3-acetamido-3-phenyl-N-(2-phenylpyrimidin-5-yl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1cnc(-c2ccccc2)nc1)c1ccccc1
InChIInChI=1S/C21H20N4O2/c1-15(26)24-19(16-8-4-2-5-9-16)12-20(27)25-18-13-22-21(23-14-18)17-10-6-3-7-11-17/h2-11,13-14,19H,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyUAYJNEDESPUWHU-UHFFFAOYSA-N
XLogP3.35
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
N-(2-phenylpyrimidin-5-yl)propanamide
CID 53014772
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
(3R)-3-acetamido-3-phenyl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 9449805
(3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
CID 8743897
(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
CID 8713924
(3R)-3-acetamido-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 9451642
3-acetamido-N-[4-(4-methylphenoxy)phenyl]-3-phenylpropanamide
CID 24636973
3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
CID 22107830
3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide
CID 78796655
(3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide
CID 2665891
N-[3-[(3-acetamido-3-phenylpropanoyl)amino]phenyl]butanamide
CID 87026147

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-phenyl-N-(2-phenylpyrimidin-5-yl)propanamide?
The IUPAC name of 3-acetamido-3-phenyl-N-(2-phenylpyrimidin-5-yl)propanamide (CID 134009235) is 3-acetamido-3-phenyl-N-(2-phenylpyrimidin-5-yl)propanamide.
What is the SMILES notation for 3-acetamido-3-phenyl-N-(2-phenylpyrimidin-5-yl)propanamide?
The canonical SMILES for 3-acetamido-3-phenyl-N-(2-phenylpyrimidin-5-yl)propanamide is CC(=O)NC(CC(=O)Nc1cnc(-c2ccccc2)nc1)c1ccccc1.
What is the InChIKey of 3-acetamido-3-phenyl-N-(2-phenylpyrimidin-5-yl)propanamide?
The InChIKey is UAYJNEDESPUWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-15(26)24-19(16-8-4-2-5-9-16)12-20(27)25-18-13-22-21(23-14-18)17-10-6-3-7-11-17/h2-11,13-14,19H,12H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 3-acetamido-3-phenyl-N-(2-phenylpyrimidin-5-yl)propanamide?
3-acetamido-3-phenyl-N-(2-phenylpyrimidin-5-yl)propanamide has a molecular weight of 360.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-phenyl-N-(2-phenylpyrimidin-5-yl)propanamide is sourced from PubChem (CID 134009235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).