(2R)-2-phenoxy-N-pyrimidin-2-ylbutanamide

C14H15N3O2 — CID 873676

IUPAC(2R)-2-phenoxy-N-pyrimidin-2-ylbutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)Nc1ncccn1
InChIInChI=1S/C14H15N3O2/c1-2-12(19-11-7-4-3-5-8-11)13(18)17-14-15-9-6-10-16-14/h3-10,12H,2H2,1H3,(H,15,16,17,18)/t12-/m1/s1
InChIKeyXUXMQPOGXJPBHJ-GFCCVEGCSA-N
MW257.29 g/mol
LogP2.27
Rot. Bonds5

About (2R)-2-phenoxy-N-pyrimidin-2-ylbutanamide

(2R)-2-phenoxy-N-pyrimidin-2-ylbutanamide (PubChem CID 873676) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2R)-2-phenoxy-N-pyrimidin-2-ylbutanamide.

Molecular Properties

Compound Name(2R)-2-phenoxy-N-pyrimidin-2-ylbutanamide
PubChem CID873676
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name(2R)-2-phenoxy-N-pyrimidin-2-ylbutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)Nc1ncccn1
InChIInChI=1S/C14H15N3O2/c1-2-12(19-11-7-4-3-5-8-11)13(18)17-14-15-9-6-10-16-14/h3-10,12H,2H2,1H3,(H,15,16,17,18)/t12-/m1/s1
InChIKeyXUXMQPOGXJPBHJ-GFCCVEGCSA-N
XLogP2.27
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
CID 9296848
(2R)-2-phenoxy-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 894977
(2R)-N-(2,6-dichlorophenyl)-2-phenoxybutanamide
CID 7890128
(2R)-N-(4-iodophenyl)-2-phenoxybutanamide
CID 1369955
(2S)-N-(2-fluorophenyl)-2-phenoxybutanamide
CID 966418
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 3155166
N-(3,5-dichlorophenyl)-2-phenoxybutanamide
CID 4099409
(2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide
CID 7369079

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenoxy-N-pyrimidin-2-ylbutanamide?
The IUPAC name of (2R)-2-phenoxy-N-pyrimidin-2-ylbutanamide (CID 873676) is (2R)-2-phenoxy-N-pyrimidin-2-ylbutanamide.
What is the SMILES notation for (2R)-2-phenoxy-N-pyrimidin-2-ylbutanamide?
The canonical SMILES for (2R)-2-phenoxy-N-pyrimidin-2-ylbutanamide is CC[C@@H](Oc1ccccc1)C(=O)Nc1ncccn1.
What is the InChIKey of (2R)-2-phenoxy-N-pyrimidin-2-ylbutanamide?
The InChIKey is XUXMQPOGXJPBHJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-12(19-11-7-4-3-5-8-11)13(18)17-14-15-9-6-10-16-14/h3-10,12H,2H2,1H3,(H,15,16,17,18)/t12-/m1/s1.
What are the key properties of (2R)-2-phenoxy-N-pyrimidin-2-ylbutanamide?
(2R)-2-phenoxy-N-pyrimidin-2-ylbutanamide has a molecular weight of 257.29 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenoxy-N-pyrimidin-2-ylbutanamide is sourced from PubChem (CID 873676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).