2-[2-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C16H19N3O4 — CID 938653

IUPAC2-[2-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCC[C@@H](C)c1ccccc1OCC(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H19N3O4/c1-3-10(2)11-6-4-5-7-13(11)23-9-14(20)18-12-8-17-16(22)19-15(12)21/h4-8,10H,3,9H2,1-2H3,(H,18,20)(H2,17,19,21,22)/t10-/m1/s1
InChIKeyJXANZFGYLXWYHZ-SNVBAGLBSA-N
MW317.35 g/mol
LogP1.59
Rot. Bonds6

About 2-[2-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide

2-[2-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 938653) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[2-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-[2-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID938653
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-[2-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCC[C@@H](C)c1ccccc1OCC(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H19N3O4/c1-3-10(2)11-6-4-5-7-13(11)23-9-14(20)18-12-8-17-16(22)19-15(12)21/h4-8,10H,3,9H2,1-2H3,(H,18,20)(H2,17,19,21,22)/t10-/m1/s1
InChIKeyJXANZFGYLXWYHZ-SNVBAGLBSA-N
XLogP1.59
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide
CID 2950014
3-[[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-2-methylbenzoic acid
CID 892447
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 25400217
2-[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]-5-methylbenzoic acid
CID 839384
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-5-methylbenzoic acid
CID 2914637
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833563
2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833562
2-(2-butan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 4937449
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 4552497
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 922510
2-[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]-5-methylbenzoate
CID 6949018
2-(2-butan-2-ylphenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 17340192

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of 2-[2-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 938653) is 2-[2-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-[2-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for 2-[2-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide is CC[C@@H](C)c1ccccc1OCC(=O)Nc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-[2-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is JXANZFGYLXWYHZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-3-10(2)11-6-4-5-7-13(11)23-9-14(20)18-12-8-17-16(22)19-15(12)21/h4-8,10H,3,9H2,1-2H3,(H,18,20)(H2,17,19,21,22)/t10-/m1/s1.
What are the key properties of 2-[2-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
2-[2-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 317.35 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 938653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).