N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide

C13H19NO2 — CID 40537959

IUPACN-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide
SMILESCC[C@@H](C)NC(=O)Cc1ccccc1OC
InChIInChI=1S/C13H19NO2/c1-4-10(2)14-13(15)9-11-7-5-6-8-12(11)16-3/h5-8,10H,4,9H2,1-3H3,(H,14,15)/t10-/m1/s1
InChIKeyIABSGBGYRVCGSK-SNVBAGLBSA-N
MW221.30 g/mol
LogP2.15
Rot. Bonds5

About N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide

N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide (PubChem CID 40537959) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide
PubChem CID40537959
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide
SMILESCC[C@@H](C)NC(=O)Cc1ccccc1OC
InChIInChI=1S/C13H19NO2/c1-4-10(2)14-13(15)9-11-7-5-6-8-12(11)16-3/h5-8,10H,4,9H2,1-3H3,(H,14,15)/t10-/m1/s1
InChIKeyIABSGBGYRVCGSK-SNVBAGLBSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 25367347
N-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 55033188
(2R)-N-ethyl-2-[[2-(2-methoxyphenyl)acetyl]amino]propanamide
CID 8751746
N-(4-hydroxy-4-phenylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 71919972
2-(2-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 40636202
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
CID 94102090
N'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108983990
(2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide
CID 9179566
1-butan-2-yl-3-(2-methoxyphenyl)urea
CID 19167871
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
N-[(2R)-2-(ethylamino)propyl]-2-(2-methoxyphenyl)acetamide
CID 120652529
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46415728

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide (CID 40537959) is N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide is CC[C@@H](C)NC(=O)Cc1ccccc1OC.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is IABSGBGYRVCGSK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-10(2)14-13(15)9-11-7-5-6-8-12(11)16-3/h5-8,10H,4,9H2,1-3H3,(H,14,15)/t10-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide?
N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 221.30 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 40537959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).