(2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide

C20H25NO2 — CID 95633628

IUPAC(2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide
SMILESCO[C@H](C(=O)NC[C@@H](c1ccccc1)C(C)C)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-15(2)18(16-10-6-4-7-11-16)14-21-20(22)19(23-3)17-12-8-5-9-13-17/h4-13,15,18-19H,14H2,1-3H3,(H,21,22)/t18-,19+/m1/s1
InChIKeyOVYCNDQWCINQOO-MOPGFXCFSA-N
MW311.43 g/mol
LogP3.93
Rot. Bonds7

About (2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide

(2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide (PubChem CID 95633628) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide
PubChem CID95633628
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide
SMILESCO[C@H](C(=O)NC[C@@H](c1ccccc1)C(C)C)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-15(2)18(16-10-6-4-7-11-16)14-21-20(22)19(23-3)17-12-8-5-9-13-17/h4-13,15,18-19H,14H2,1-3H3,(H,21,22)/t18-,19+/m1/s1
InChIKeyOVYCNDQWCINQOO-MOPGFXCFSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2-methoxy-2-phenylacetyl)amino]methyl]-3-methylbutanoic acid
CID 65219999
4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid
CID 120689719
(2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid
CID 124724861
N-(2-cyanopropyl)-2-methoxy-2-phenylacetamide
CID 62653112
2-methyl-3-(methylamino)-N-(3-methyl-2-phenylbutyl)propanamide
CID 119732056
N-[2-(ethylamino)ethyl]-2-methoxy-2-phenylacetamide
CID 62658579
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid
CID 120687217
6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid
CID 62034774
4-[2-[(2-methoxy-2-phenylacetyl)amino]ethyl]benzoic acid
CID 119038942
2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride
CID 119294110
N-(5-hydroxy-4-methylpentyl)-2-methoxy-2-phenylacetamide
CID 103861914

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide (CID 95633628) is (2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide is CO[C@H](C(=O)NC[C@@H](c1ccccc1)C(C)C)c1ccccc1.
What is the InChIKey of (2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide?
The InChIKey is OVYCNDQWCINQOO-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15(2)18(16-10-6-4-7-11-16)14-21-20(22)19(23-3)17-12-8-5-9-13-17/h4-13,15,18-19H,14H2,1-3H3,(H,21,22)/t18-,19+/m1/s1.
What are the key properties of (2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide?
(2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide has a molecular weight of 311.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide is sourced from PubChem (CID 95633628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).