(2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide

C15H22N2O2 — CID 8894212

IUPAC(2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
SMILESCC[C@H](C)c1ccccc1NC(=O)[C@@H](C)NC(C)=O
InChIInChI=1S/C15H22N2O2/c1-5-10(2)13-8-6-7-9-14(13)17-15(19)11(3)16-12(4)18/h6-11H,5H2,1-4H3,(H,16,18)(H,17,19)/t10-,11+/m0/s1
InChIKeyVGOGJAPHBMAALS-WDEREUQCSA-N
MW262.35 g/mol
LogP2.66
Rot. Bonds5

About (2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide

(2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide (PubChem CID 8894212) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
PubChem CID8894212
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
SMILESCC[C@H](C)c1ccccc1NC(=O)[C@@H](C)NC(C)=O
InChIInChI=1S/C15H22N2O2/c1-5-10(2)13-8-6-7-9-14(13)17-15(19)11(3)16-12(4)18/h6-11H,5H2,1-4H3,(H,16,18)(H,17,19)/t10-,11+/m0/s1
InChIKeyVGOGJAPHBMAALS-WDEREUQCSA-N
XLogP2.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
2-acetamido-N-[2-(1-hydroxyethyl)phenyl]propanamide
CID 54963356
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide
CID 55110758
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[2-(dimethylamino)ethylamino]propanamide
CID 8019165
1-(2-butan-2-ylphenyl)-3-prop-1-en-2-ylurea
CID 108910430
N-[(2-butan-2-ylphenyl)carbamothioyl]acetamide
CID 2937950
1-benzhydryl-3-(2-butan-2-ylphenyl)urea
CID 108867576
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(naphthalen-2-ylamino)propanamide
CID 2438566
3-(2-butan-2-ylphenyl)-1,1-dimethylurea
CID 2974418
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] furan-2-carboxylate
CID 7814303

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide?
The IUPAC name of (2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide (CID 8894212) is (2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide.
What is the SMILES notation for (2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide?
The canonical SMILES for (2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide is CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)NC(C)=O.
What is the InChIKey of (2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide?
The InChIKey is VGOGJAPHBMAALS-WDEREUQCSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-10(2)13-8-6-7-9-14(13)17-15(19)11(3)16-12(4)18/h6-11H,5H2,1-4H3,(H,16,18)(H,17,19)/t10-,11+/m0/s1.
What are the key properties of (2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide?
(2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide has a molecular weight of 262.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide is sourced from PubChem (CID 8894212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).