(2R)-2-methyl-4-phenoxy-N-(2,4,5-trimethylpyrazol-3-yl)butanamide

C17H23N3O2 — CID 95905213

IUPAC(2R)-2-methyl-4-phenoxy-N-(2,4,5-trimethylpyrazol-3-yl)butanamide
SMILESCc1nn(C)c(NC(=O)[C@H](C)CCOc2ccccc2)c1C
InChIInChI=1S/C17H23N3O2/c1-12(10-11-22-15-8-6-5-7-9-15)17(21)18-16-13(2)14(3)19-20(16)4/h5-9,12H,10-11H2,1-4H3,(H,18,21)/t12-/m1/s1
InChIKeyUCTHPPAIODLIMF-GFCCVEGCSA-N
MW301.39 g/mol
LogP3.08
Rot. Bonds6

About (2R)-2-methyl-4-phenoxy-N-(2,4,5-trimethylpyrazol-3-yl)butanamide

(2R)-2-methyl-4-phenoxy-N-(2,4,5-trimethylpyrazol-3-yl)butanamide (PubChem CID 95905213) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2R)-2-methyl-4-phenoxy-N-(2,4,5-trimethylpyrazol-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-methyl-4-phenoxy-N-(2,4,5-trimethylpyrazol-3-yl)butanamide
PubChem CID95905213
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2R)-2-methyl-4-phenoxy-N-(2,4,5-trimethylpyrazol-3-yl)butanamide
SMILESCc1nn(C)c(NC(=O)[C@H](C)CCOc2ccccc2)c1C
InChIInChI=1S/C17H23N3O2/c1-12(10-11-22-15-8-6-5-7-9-15)17(21)18-16-13(2)14(3)19-20(16)4/h5-9,12H,10-11H2,1-4H3,(H,18,21)/t12-/m1/s1
InChIKeyUCTHPPAIODLIMF-GFCCVEGCSA-N
XLogP3.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methyl-4-phenoxybutanoyl)amino]butanoic acid
CID 119224246
2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-phenoxybutanamide
CID 120642009
(2R)-2-methyl-N-morpholin-4-yl-4-phenoxybutanamide
CID 95901650
2-methyl-N-morpholin-4-yl-4-phenoxybutanamide
CID 71985237
2,2-dimethyl-3-[(2-methyl-4-phenoxybutanoyl)amino]propanoic acid
CID 119250425
2-[[3-[(2-methyl-4-phenoxybutanoyl)amino]phenyl]methylsulfanyl]acetic acid
CID 119240908
N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-4-phenoxybutanamide
CID 111499105
propan-2-yl 2-methyl-4-phenoxybutanoate
CID 174931468
N-(2-amino-1-cyclopropylethyl)-2-methyl-4-phenoxybutanamide;hydrochloride
CID 119617229
N-[(1-hydroxycyclopentyl)methyl]-2-methyl-4-phenoxybutanamide
CID 111499089
N-[(1-hydroxycyclobutyl)methyl]-2-methyl-4-phenoxybutanamide
CID 111539402
1-[[(2S)-2-methyl-4-phenoxybutanoyl]amino]cyclopentane-1-carboxamide
CID 97087003

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-phenoxy-N-(2,4,5-trimethylpyrazol-3-yl)butanamide?
The IUPAC name of (2R)-2-methyl-4-phenoxy-N-(2,4,5-trimethylpyrazol-3-yl)butanamide (CID 95905213) is (2R)-2-methyl-4-phenoxy-N-(2,4,5-trimethylpyrazol-3-yl)butanamide.
What is the SMILES notation for (2R)-2-methyl-4-phenoxy-N-(2,4,5-trimethylpyrazol-3-yl)butanamide?
The canonical SMILES for (2R)-2-methyl-4-phenoxy-N-(2,4,5-trimethylpyrazol-3-yl)butanamide is Cc1nn(C)c(NC(=O)[C@H](C)CCOc2ccccc2)c1C.
What is the InChIKey of (2R)-2-methyl-4-phenoxy-N-(2,4,5-trimethylpyrazol-3-yl)butanamide?
The InChIKey is UCTHPPAIODLIMF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(10-11-22-15-8-6-5-7-9-15)17(21)18-16-13(2)14(3)19-20(16)4/h5-9,12H,10-11H2,1-4H3,(H,18,21)/t12-/m1/s1.
What are the key properties of (2R)-2-methyl-4-phenoxy-N-(2,4,5-trimethylpyrazol-3-yl)butanamide?
(2R)-2-methyl-4-phenoxy-N-(2,4,5-trimethylpyrazol-3-yl)butanamide has a molecular weight of 301.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-phenoxy-N-(2,4,5-trimethylpyrazol-3-yl)butanamide is sourced from PubChem (CID 95905213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).