N-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3-phenylbutanamide

C14H21NO2 — CID 110306885

IUPACN-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3-phenylbutanamide
SMILESC[C@@H](CO)NC(=O)CC(C)(C)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(10-16)15-13(17)9-14(2,3)12-7-5-4-6-8-12/h4-8,11,16H,9-10H2,1-3H3,(H,15,17)/t11-/m0/s1
InChIKeyOZWJOFPPYGHATB-NSHDSACASA-N
MW235.33 g/mol
LogP1.85
Rot. Bonds5

About N-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3-phenylbutanamide

N-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3-phenylbutanamide (PubChem CID 110306885) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3-phenylbutanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3-phenylbutanamide
PubChem CID110306885
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3-phenylbutanamide
SMILESC[C@@H](CO)NC(=O)CC(C)(C)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(10-16)15-13(17)9-14(2,3)12-7-5-4-6-8-12/h4-8,11,16H,9-10H2,1-3H3,(H,15,17)/t11-/m0/s1
InChIKeyOZWJOFPPYGHATB-NSHDSACASA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-methyl-3-phenylbutanamide
CID 96539664
N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-3-phenylbutanamide
CID 139254557
2-anilino-N-(1-hydroxypropan-2-yl)acetamide
CID 60862778
(2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol
CID 103912755
2-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 119755775
3-hydroxy-N-(4-methylpentan-2-yl)-3-phenylbutanamide
CID 110026094
2-methyl-2-[(3-methyl-3-phenylbutanoyl)amino]propanoic acid
CID 119187916
N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide
CID 79031593
1-(1-hydroxypropan-2-yl)-3-(2-methyl-2-phenylpentan-3-yl)urea
CID 111507058
N-(1-hydroxypropan-2-yl)-2-phenoxyacetamide
CID 43418917
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide
CID 107218545
3-[(3-methyl-3-phenylbutanoyl)amino]-2-phenylpropanoic acid
CID 119255037

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3-phenylbutanamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3-phenylbutanamide (CID 110306885) is N-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3-phenylbutanamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3-phenylbutanamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3-phenylbutanamide is C[C@@H](CO)NC(=O)CC(C)(C)c1ccccc1.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3-phenylbutanamide?
The InChIKey is OZWJOFPPYGHATB-NSHDSACASA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(10-16)15-13(17)9-14(2,3)12-7-5-4-6-8-12/h4-8,11,16H,9-10H2,1-3H3,(H,15,17)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3-phenylbutanamide?
N-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3-phenylbutanamide has a molecular weight of 235.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3-phenylbutanamide is sourced from PubChem (CID 110306885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).