N-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide

C15H23NO2 — CID 100570232

IUPACN-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccccc1C(=O)N[C@H](C)C(C)C
InChIInChI=1S/C15H23NO2/c1-10(2)12(5)16-15(17)13-8-6-7-9-14(13)18-11(3)4/h6-12H,1-5H3,(H,16,17)/t12-/m1/s1
InChIKeyIYLUXUOGIWMOGR-GFCCVEGCSA-N
MW249.35 g/mol
LogP3.25
Rot. Bonds5

About N-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide

N-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide (PubChem CID 100570232) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide
PubChem CID100570232
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccccc1C(=O)N[C@H](C)C(C)C
InChIInChI=1S/C15H23NO2/c1-10(2)12(5)16-15(17)13-8-6-7-9-14(13)18-11(3)4/h6-12H,1-5H3,(H,16,17)/t12-/m1/s1
InChIKeyIYLUXUOGIWMOGR-GFCCVEGCSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704
1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide
CID 786717
N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide
CID 92666015
N-(3-methylbutan-2-yl)-2-(trifluoromethoxy)benzamide
CID 164554378
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
N-propan-2-yl-2-[(2-propan-2-yloxybenzoyl)amino]benzamide
CID 17045597
N-(1-phenylpropyl)-2-propan-2-yloxybenzamide
CID 43911562
N-[1-(4-methylphenyl)propyl]-2-propan-2-yloxybenzamide
CID 132650459
N-(4-acetamidophenyl)-2-propan-2-yloxybenzamide
CID 17045479
N-[1-(3,4-dimethylphenyl)ethyl]-2-propan-2-yloxybenzamide
CID 132650471
2-propan-2-yloxybenzoyl chloride
CID 15921914
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide (CID 100570232) is N-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide is CC(C)Oc1ccccc1C(=O)N[C@H](C)C(C)C.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide?
The InChIKey is IYLUXUOGIWMOGR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)12(5)16-15(17)13-8-6-7-9-14(13)18-11(3)4/h6-12H,1-5H3,(H,16,17)/t12-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide?
N-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide has a molecular weight of 249.35 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 100570232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).