(2R)-N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-(2-methylpropyl)phenyl]propanamide

C25H28N4O3 — CID 155201142

IUPAC(2R)-N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(=O)Nc1cc(Oc2ccc(NC(=O)[C@H](C)c3ccc(CC(C)C)cc3)cc2)ncn1
InChIInChI=1S/C25H28N4O3/c1-16(2)13-19-5-7-20(8-6-19)17(3)25(31)29-21-9-11-22(12-10-21)32-24-14-23(26-15-27-24)28-18(4)30/h5-12,14-17H,13H2,1-4H3,(H,29,31)(H,26,27,28,30)/t17-/m1/s1
InChIKeyVLXMWAUXBMMISG-QGZVFWFLSA-N
MW432.52 g/mol
LogP5.17
Rot. Bonds8

About (2R)-N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-(2-methylpropyl)phenyl]propanamide

(2R)-N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 155201142) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is (2R)-N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID155201142
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name(2R)-N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(=O)Nc1cc(Oc2ccc(NC(=O)[C@H](C)c3ccc(CC(C)C)cc3)cc2)ncn1
InChIInChI=1S/C25H28N4O3/c1-16(2)13-19-5-7-20(8-6-19)17(3)25(31)29-21-9-11-22(12-10-21)32-24-14-23(26-15-27-24)28-18(4)30/h5-12,14-17H,13H2,1-4H3,(H,29,31)(H,26,27,28,30)/t17-/m1/s1
InChIKeyVLXMWAUXBMMISG-QGZVFWFLSA-N
XLogP5.17
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
N-[4-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782020
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7313989
2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide
CID 54781151
N-[6-[4-[3-(3,4-dimethylphenyl)prop-1-en-2-ylamino]phenoxy]pyrimidin-4-yl]acetamide
CID 170194022
[(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl] N-tert-butylcarbamate
CID 175061568
(2R)-N-(3,5-dimethoxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 102377979
(2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228270
(2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 25019148
(2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228330
(2S)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228329
N-[3-(2-methylpropoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54781971

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of (2R)-N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 155201142) is (2R)-N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for (2R)-N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for (2R)-N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-(2-methylpropyl)phenyl]propanamide is CC(=O)Nc1cc(Oc2ccc(NC(=O)[C@H](C)c3ccc(CC(C)C)cc3)cc2)ncn1.
What is the InChIKey of (2R)-N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is VLXMWAUXBMMISG-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-16(2)13-19-5-7-20(8-6-19)17(3)25(31)29-21-9-11-22(12-10-21)32-24-14-23(26-15-27-24)28-18(4)30/h5-12,14-17H,13H2,1-4H3,(H,29,31)(H,26,27,28,30)/t17-/m1/s1.
What are the key properties of (2R)-N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
(2R)-N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 432.52 g/mol, XLogP of 5.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 155201142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).