N-[[(2R)-butan-2-yl]carbamoyl]-2-(3-cyanophenoxy)acetamide

C14H17N3O3 — CID 7964489

IUPACN-[[(2R)-butan-2-yl]carbamoyl]-2-(3-cyanophenoxy)acetamide
SMILESCC[C@@H](C)NC(=O)NC(=O)COc1cccc(C#N)c1
InChIInChI=1S/C14H17N3O3/c1-3-10(2)16-14(19)17-13(18)9-20-12-6-4-5-11(7-12)8-15/h4-7,10H,3,9H2,1-2H3,(H2,16,17,18,19)/t10-/m1/s1
InChIKeyRACNVYWABDDDRP-SNVBAGLBSA-N
MW275.31 g/mol
LogP1.56
Rot. Bonds5

About N-[[(2R)-butan-2-yl]carbamoyl]-2-(3-cyanophenoxy)acetamide

N-[[(2R)-butan-2-yl]carbamoyl]-2-(3-cyanophenoxy)acetamide (PubChem CID 7964489) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[[(2R)-butan-2-yl]carbamoyl]-2-(3-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-[[(2R)-butan-2-yl]carbamoyl]-2-(3-cyanophenoxy)acetamide
PubChem CID7964489
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[[(2R)-butan-2-yl]carbamoyl]-2-(3-cyanophenoxy)acetamide
SMILESCC[C@@H](C)NC(=O)NC(=O)COc1cccc(C#N)c1
InChIInChI=1S/C14H17N3O3/c1-3-10(2)16-14(19)17-13(18)9-20-12-6-4-5-11(7-12)8-15/h4-7,10H,3,9H2,1-2H3,(H2,16,17,18,19)/t10-/m1/s1
InChIKeyRACNVYWABDDDRP-SNVBAGLBSA-N
XLogP1.56
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyanophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 9113198
N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylphenoxy)acetamide
CID 7817259
N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylphenoxy)acetamide
CID 7868582
2-(4-acetylphenoxy)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide
CID 7763913
N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-tert-butylphenoxy)acetamide
CID 8009528
2-(3-cyanophenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide
CID 9334701
2-(3-cyanophenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 51286906
1-butan-2-yl-3-(3-cyanophenyl)urea
CID 42928067
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3-cyanophenoxy)acetamide
CID 7964571
1-butan-2-yl-3-[(3-cyanophenyl)methyl]urea
CID 47216352
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(3-cyanophenyl)acetamide
CID 133163726
2-(3-cyanophenoxy)-N-prop-2-enylacetamide
CID 24699881

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-butan-2-yl]carbamoyl]-2-(3-cyanophenoxy)acetamide?
The IUPAC name of N-[[(2R)-butan-2-yl]carbamoyl]-2-(3-cyanophenoxy)acetamide (CID 7964489) is N-[[(2R)-butan-2-yl]carbamoyl]-2-(3-cyanophenoxy)acetamide.
What is the SMILES notation for N-[[(2R)-butan-2-yl]carbamoyl]-2-(3-cyanophenoxy)acetamide?
The canonical SMILES for N-[[(2R)-butan-2-yl]carbamoyl]-2-(3-cyanophenoxy)acetamide is CC[C@@H](C)NC(=O)NC(=O)COc1cccc(C#N)c1.
What is the InChIKey of N-[[(2R)-butan-2-yl]carbamoyl]-2-(3-cyanophenoxy)acetamide?
The InChIKey is RACNVYWABDDDRP-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-10(2)16-14(19)17-13(18)9-20-12-6-4-5-11(7-12)8-15/h4-7,10H,3,9H2,1-2H3,(H2,16,17,18,19)/t10-/m1/s1.
What are the key properties of N-[[(2R)-butan-2-yl]carbamoyl]-2-(3-cyanophenoxy)acetamide?
N-[[(2R)-butan-2-yl]carbamoyl]-2-(3-cyanophenoxy)acetamide has a molecular weight of 275.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-butan-2-yl]carbamoyl]-2-(3-cyanophenoxy)acetamide is sourced from PubChem (CID 7964489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).