[(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl] N-tert-butylcarbamate

C25H27N5O5 — CID 175061568

IUPAC[(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl] N-tert-butylcarbamate
SMILESCC(=O)Nc1cc(Oc2ccc(NC(=O)[C@H](OC(=O)NC(C)(C)C)c3ccccc3)cc2)ncn1
InChIInChI=1S/C25H27N5O5/c1-16(31)28-20-14-21(27-15-26-20)34-19-12-10-18(11-13-19)29-23(32)22(17-8-6-5-7-9-17)35-24(33)30-25(2,3)4/h5-15,22H,1-4H3,(H,29,32)(H,30,33)(H,26,27,28,31)/t22-/m1/s1
InChIKeyPPKTZYHTJUVTLG-JOCHJYFZSA-N
MW477.52 g/mol
LogP4.43
Rot. Bonds7

About [(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl] N-tert-butylcarbamate

[(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl] N-tert-butylcarbamate (PubChem CID 175061568) has the molecular formula C25H27N5O5 and a molecular weight of 477.52 g/mol. Its IUPAC name is [(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl] N-tert-butylcarbamate
PubChem CID175061568
Molecular FormulaC25H27N5O5
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC Name[(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl] N-tert-butylcarbamate
SMILESCC(=O)Nc1cc(Oc2ccc(NC(=O)[C@H](OC(=O)NC(C)(C)C)c3ccccc3)cc2)ncn1
InChIInChI=1S/C25H27N5O5/c1-16(31)28-20-14-21(27-15-26-20)34-19-12-10-18(11-13-19)29-23(32)22(17-8-6-5-7-9-17)35-24(33)30-25(2,3)4/h5-15,22H,1-4H3,(H,29,32)(H,30,33)(H,26,27,28,31)/t22-/m1/s1
InChIKeyPPKTZYHTJUVTLG-JOCHJYFZSA-N
XLogP4.43
TPSA131.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl] N-tert-butylcarbamate with MolForge

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Related Compounds

1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea;N-[6-[4-(phenylcarbamoylamino)phenoxy]pyrimidin-4-yl]acetamide
CID 158018338
(2R)-N-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 155201142
2,2-diphenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122308873
tert-butyl N-[3-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]phenyl]carbamate
CID 70843625
2,2-diphenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
CID 122311140
N-[6-[4-[3-(3,4-dimethylphenyl)prop-1-en-2-ylamino]phenoxy]pyrimidin-4-yl]acetamide
CID 170194022
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate
CID 46644627
6-(4-aminophenoxy)-N-phenylpyrimidin-4-amine;1-[4-(6-anilinopyrimidin-4-yl)oxyphenyl]-3-(3-methylsulfonylphenyl)urea
CID 158638793
2-(3-chloro-4-fluorophenoxy)-N-(6-methoxypyrimidin-4-yl)-2-phenylacetamide
CID 146147762
1-[4-(6-chloropyrimidin-4-yl)oxyphenyl]-3-phenylurea;1-[4-[6-(3,5-difluoroanilino)pyrimidin-4-yl]oxyphenyl]-3-phenylurea
CID 162127603
1-phenyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309674
(2R)-N-(4-ethoxyphenyl)-2-(4-methoxyphenoxy)-2-phenylacetamide
CID 96564594

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl] N-tert-butylcarbamate?
The IUPAC name of [(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl] N-tert-butylcarbamate (CID 175061568) is [(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl] N-tert-butylcarbamate.
What is the SMILES notation for [(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl] N-tert-butylcarbamate?
The canonical SMILES for [(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl] N-tert-butylcarbamate is CC(=O)Nc1cc(Oc2ccc(NC(=O)[C@H](OC(=O)NC(C)(C)C)c3ccccc3)cc2)ncn1.
What is the InChIKey of [(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl] N-tert-butylcarbamate?
The InChIKey is PPKTZYHTJUVTLG-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H27N5O5/c1-16(31)28-20-14-21(27-15-26-20)34-19-12-10-18(11-13-19)29-23(32)22(17-8-6-5-7-9-17)35-24(33)30-25(2,3)4/h5-15,22H,1-4H3,(H,29,32)(H,30,33)(H,26,27,28,31)/t22-/m1/s1.
What are the key properties of [(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl] N-tert-butylcarbamate?
[(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl] N-tert-butylcarbamate has a molecular weight of 477.52 g/mol, XLogP of 4.43, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[4-(6-acetamidopyrimidin-4-yl)oxyanilino]-2-oxo-1-phenylethyl] N-tert-butylcarbamate is sourced from PubChem (CID 175061568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).