N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-pyrimidin-2-ylacetamide

C22H24N4O2 — CID 18319711

IUPACN-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-pyrimidin-2-ylacetamide
SMILESO=C(Cc1ncccn1)Nc1ccc(CCNCC(O)c2ccccc2)cc1
InChIInChI=1S/C22H24N4O2/c27-20(18-5-2-1-3-6-18)16-23-14-11-17-7-9-19(10-8-17)26-22(28)15-21-24-12-4-13-25-21/h1-10,12-13,20,23,27H,11,14-16H2,(H,26,28)
InChIKeyIDDVJRMWYVDDDF-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.52
Rot. Bonds9

About N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-pyrimidin-2-ylacetamide

N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-pyrimidin-2-ylacetamide (PubChem CID 18319711) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-pyrimidin-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-pyrimidin-2-ylacetamide
PubChem CID18319711
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-pyrimidin-2-ylacetamide
SMILESO=C(Cc1ncccn1)Nc1ccc(CCNCC(O)c2ccccc2)cc1
InChIInChI=1S/C22H24N4O2/c27-20(18-5-2-1-3-6-18)16-23-14-11-17-7-9-19(10-8-17)26-22(28)15-21-24-12-4-13-25-21/h1-10,12-13,20,23,27H,11,14-16H2,(H,26,28)
InChIKeyIDDVJRMWYVDDDF-UHFFFAOYSA-N
XLogP2.52
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-pyrimidin-2-ylacetamide?
The IUPAC name of N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-pyrimidin-2-ylacetamide (CID 18319711) is N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-pyrimidin-2-ylacetamide.
What is the SMILES notation for N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-pyrimidin-2-ylacetamide?
The canonical SMILES for N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-pyrimidin-2-ylacetamide is O=C(Cc1ncccn1)Nc1ccc(CCNCC(O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-pyrimidin-2-ylacetamide?
The InChIKey is IDDVJRMWYVDDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-20(18-5-2-1-3-6-18)16-23-14-11-17-7-9-19(10-8-17)26-22(28)15-21-24-12-4-13-25-21/h1-10,12-13,20,23,27H,11,14-16H2,(H,26,28).
What are the key properties of N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-pyrimidin-2-ylacetamide?
N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-pyrimidin-2-ylacetamide has a molecular weight of 376.46 g/mol, XLogP of 2.52, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-pyrimidin-2-ylacetamide is sourced from PubChem (CID 18319711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).