2-(4-acetylphenoxy)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide

C15H20N2O4 — CID 7763913

IUPAC2-(4-acetylphenoxy)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)COc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H20N2O4/c1-4-10(2)16-15(20)17-14(19)9-21-13-7-5-12(6-8-13)11(3)18/h5-8,10H,4,9H2,1-3H3,(H2,16,17,19,20)/t10-/m0/s1
InChIKeyRCQIJSHOVBQHDT-JTQLQIEISA-N
MW292.34 g/mol
LogP1.89
Rot. Bonds6

About 2-(4-acetylphenoxy)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide

2-(4-acetylphenoxy)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide (PubChem CID 7763913) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
PubChem CID7763913
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-(4-acetylphenoxy)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)COc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H20N2O4/c1-4-10(2)16-15(20)17-14(19)9-21-13-7-5-12(6-8-13)11(3)18/h5-8,10H,4,9H2,1-3H3,(H2,16,17,19,20)/t10-/m0/s1
InChIKeyRCQIJSHOVBQHDT-JTQLQIEISA-N
XLogP1.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylphenoxy)acetamide
CID 7817259
N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-tert-butylphenoxy)acetamide
CID 8009528
N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylphenoxy)acetamide
CID 7868582
2-(4-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60625311
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925625
N-[[(2R)-butan-2-yl]carbamoyl]-2-(3-cyanophenoxy)acetamide
CID 7964489
2-(4-acetylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 51140295
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884943
2-(4-acetylphenoxy)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 51295837
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 8923873
N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide
CID 7611072

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide (CID 7763913) is 2-(4-acetylphenoxy)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide is CC[C@H](C)NC(=O)NC(=O)COc1ccc(C(C)=O)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide?
The InChIKey is RCQIJSHOVBQHDT-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-10(2)16-15(20)17-14(19)9-21-13-7-5-12(6-8-13)11(3)18/h5-8,10H,4,9H2,1-3H3,(H2,16,17,19,20)/t10-/m0/s1.
What are the key properties of 2-(4-acetylphenoxy)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide?
2-(4-acetylphenoxy)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide has a molecular weight of 292.34 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide is sourced from PubChem (CID 7763913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).