(2S)-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-phenylacetamide

C12H18N2O2 — CID 33406332

IUPAC(2S)-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-phenylacetamide
SMILESCOC[C@H](C)N[C@H](C(N)=O)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-9(8-16-2)14-11(12(13)15)10-6-4-3-5-7-10/h3-7,9,11,14H,8H2,1-2H3,(H2,13,15)/t9-,11-/m0/s1
InChIKeyDNODITKQZQRGBE-ONGXEEELSA-N
MW222.29 g/mol
LogP0.84
Rot. Bonds6

About (2S)-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-phenylacetamide

(2S)-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-phenylacetamide (PubChem CID 33406332) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (2S)-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-phenylacetamide
PubChem CID33406332
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(2S)-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-phenylacetamide
SMILESCOC[C@H](C)N[C@H](C(N)=O)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-9(8-16-2)14-11(12(13)15)10-6-4-3-5-7-10/h3-7,9,11,14H,8H2,1-2H3,(H2,13,15)/t9-,11-/m0/s1
InChIKeyDNODITKQZQRGBE-ONGXEEELSA-N
XLogP0.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(2S)-4-(4-methoxyphenyl)butan-2-yl]amino]-2-phenylacetamide
CID 95588807
(2R)-2-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 33398197
2-amino-N-(2-amino-2-oxo-1-phenylethyl)-3-methoxypropanamide;hydrochloride
CID 120984398
3-methoxy-2-(1-phenylethylamino)propanamide
CID 115774804
2-(3-methylbutan-2-ylamino)-2-phenylacetamide
CID 75524917
(2S)-N-(3,5-dichlorophenyl)-2-[[(2R)-1-methoxypropan-2-yl]amino]-2-phenylacetamide
CID 7928811
(2S)-2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-3-methylbutanamide
CID 66657959
3-[(2-methoxy-2-oxo-1-phenylethyl)amino]butanoic acid
CID 55036497
(2R)-N-(3-acetylphenyl)-2-[[(2R)-1-methoxypropan-2-yl]amino]-2-phenylacetamide
CID 2621450
2-(1-methoxypropan-2-ylamino)-2-phenylethanol
CID 63182604
2-(1-cyclopropylethylamino)-2-phenylacetamide
CID 75511506
N-[(2R)-1-methoxypropan-2-yl]-3,3-diphenylpropanamide
CID 7299747

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-phenylacetamide (CID 33406332) is (2S)-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-phenylacetamide is COC[C@H](C)N[C@H](C(N)=O)c1ccccc1.
What is the InChIKey of (2S)-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-phenylacetamide?
The InChIKey is DNODITKQZQRGBE-ONGXEEELSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(8-16-2)14-11(12(13)15)10-6-4-3-5-7-10/h3-7,9,11,14H,8H2,1-2H3,(H2,13,15)/t9-,11-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-phenylacetamide?
(2S)-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-phenylacetamide has a molecular weight of 222.29 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-phenylacetamide is sourced from PubChem (CID 33406332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).