(2R)-2-[(2,2-diphenylacetyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-3-methylbutanamide

C22H28N2O3 — CID 96564952

IUPAC(2R)-2-[(2,2-diphenylacetyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-3-methylbutanamide
SMILESCC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C)CO
InChIInChI=1S/C22H28N2O3/c1-15(2)20(22(27)23-16(3)14-25)24-21(26)19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15-16,19-20,25H,14H2,1-3H3,(H,23,27)(H,24,26)/t16-,20+/m0/s1
InChIKeyOWMFCNSHRAKQRP-OXJNMPFZSA-N
MW368.48 g/mol
LogP2.46
Rot. Bonds8

About (2R)-2-[(2,2-diphenylacetyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-3-methylbutanamide

(2R)-2-[(2,2-diphenylacetyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-3-methylbutanamide (PubChem CID 96564952) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is (2R)-2-[(2,2-diphenylacetyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[(2,2-diphenylacetyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-3-methylbutanamide
PubChem CID96564952
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name(2R)-2-[(2,2-diphenylacetyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-3-methylbutanamide
SMILESCC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C)CO
InChIInChI=1S/C22H28N2O3/c1-15(2)20(22(27)23-16(3)14-25)24-21(26)19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15-16,19-20,25H,14H2,1-3H3,(H,23,27)(H,24,26)/t16-,20+/m0/s1
InChIKeyOWMFCNSHRAKQRP-OXJNMPFZSA-N
XLogP2.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-2,2-diphenylacetamide
CID 78856864
(2S)-N-[(2S)-butan-2-yl]-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide
CID 126008908
N-butan-2-yl-2,2-diphenylacetamide
CID 3094060
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-2-phenylacetamide
CID 107218501
2,2-diphenyl-N-[(2R)-1-phenylpropan-2-yl]acetamide
CID 1375536
(2R)-2-[(2,2-diphenylacetyl)amino]-N-(4-iodophenyl)-3-methylbutanamide
CID 40592995
3-amino-N-(1-hydroxypropan-2-yl)-2-phenylpropanamide
CID 62877991
5-[[2-[(2,2-diphenylacetyl)amino]-3-methylbutanoyl]amino]-4-hydroxy-6-phenylhexanoic acid
CID 175059949
(2R)-N-(3,4-dimethylphenyl)-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide
CID 1036687
[2-(1-hydroxypropan-2-ylamino)-2-oxo-1-phenylethyl] acetate
CID 70487174
benzyl N-[(2S)-1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 101336347
(2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
CID 97241364

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,2-diphenylacetyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-3-methylbutanamide?
The IUPAC name of (2R)-2-[(2,2-diphenylacetyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-3-methylbutanamide (CID 96564952) is (2R)-2-[(2,2-diphenylacetyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[(2,2-diphenylacetyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-3-methylbutanamide?
The canonical SMILES for (2R)-2-[(2,2-diphenylacetyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-3-methylbutanamide is CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C)CO.
What is the InChIKey of (2R)-2-[(2,2-diphenylacetyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-3-methylbutanamide?
The InChIKey is OWMFCNSHRAKQRP-OXJNMPFZSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15(2)20(22(27)23-16(3)14-25)24-21(26)19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15-16,19-20,25H,14H2,1-3H3,(H,23,27)(H,24,26)/t16-,20+/m0/s1.
What are the key properties of (2R)-2-[(2,2-diphenylacetyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-3-methylbutanamide?
(2R)-2-[(2,2-diphenylacetyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-3-methylbutanamide has a molecular weight of 368.48 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,2-diphenylacetyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 96564952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).