2,2-dimethyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]propanamide

C17H20N4O2 — CID 134009428

IUPAC2,2-dimethyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C17H20N4O2/c1-17(2,3)16(23)20-11-14(22)21-13-9-18-15(19-10-13)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyRDYZBFWRIOVYPU-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.24
Rot. Bonds4

About 2,2-dimethyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]propanamide

2,2-dimethyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]propanamide (PubChem CID 134009428) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]propanamide
PubChem CID134009428
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2,2-dimethyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C17H20N4O2/c1-17(2,3)16(23)20-11-14(22)21-13-9-18-15(19-10-13)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyRDYZBFWRIOVYPU-UHFFFAOYSA-N
XLogP2.24
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]benzamide
CID 134056276
N-(2-phenylpyrimidin-5-yl)propanamide
CID 53014772
2-chloro-N-(2-phenylpyrimidin-5-yl)acetamide
CID 43699755
2-methylsulfanyl-N-(2-phenylpyrimidin-5-yl)acetamide
CID 47128547
2-amino-2-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide
CID 60848234
2-phenoxy-N-(2-phenylpyrimidin-5-yl)acetamide
CID 17407421
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36860148
N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36899593
2-[4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]-2-methylpropanoic acid
CID 119253886
N-(2-phenylpyrimidin-5-yl)-2-piperidin-4-ylacetamide
CID 119697450
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009413
3-acetamido-3-phenyl-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009235

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]propanamide (CID 134009428) is 2,2-dimethyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]propanamide is CC(C)(C)C(=O)NCC(=O)Nc1cnc(-c2ccccc2)nc1.
What is the InChIKey of 2,2-dimethyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]propanamide?
The InChIKey is RDYZBFWRIOVYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-17(2,3)16(23)20-11-14(22)21-13-9-18-15(19-10-13)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 2,2-dimethyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]propanamide?
2,2-dimethyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]propanamide has a molecular weight of 312.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]propanamide is sourced from PubChem (CID 134009428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).