(2R)-2-[(2,2-diphenylacetyl)amino]hexanoate

C20H22NO3- — CID 7459794

IUPAC(2R)-2-[(2,2-diphenylacetyl)amino]hexanoate
SMILESCCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)[O-]
InChIInChI=1S/C20H23NO3/c1-2-3-14-17(20(23)24)21-19(22)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-18H,2-3,14H2,1H3,(H,21,22)(H,23,24)/p-1/t17-/m1/s1
InChIKeyMMQAONXFYQPOJA-QGZVFWFLSA-M
MW324.40 g/mol
LogP2.24
Rot. Bonds8

About (2R)-2-[(2,2-diphenylacetyl)amino]hexanoate

(2R)-2-[(2,2-diphenylacetyl)amino]hexanoate (PubChem CID 7459794) has the molecular formula C20H22NO3- and a molecular weight of 324.40 g/mol. Its IUPAC name is (2R)-2-[(2,2-diphenylacetyl)amino]hexanoate.

Molecular Properties

Compound Name(2R)-2-[(2,2-diphenylacetyl)amino]hexanoate
PubChem CID7459794
Molecular FormulaC20H22NO3-
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name(2R)-2-[(2,2-diphenylacetyl)amino]hexanoate
SMILESCCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)[O-]
InChIInChI=1S/C20H23NO3/c1-2-3-14-17(20(23)24)21-19(22)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-18H,2-3,14H2,1H3,(H,21,22)(H,23,24)/p-1/t17-/m1/s1
InChIKeyMMQAONXFYQPOJA-QGZVFWFLSA-M
XLogP2.24
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2,2-diphenylacetyl)amino]propanoate
CID 6946270
2-[2-[(2-iodoacetyl)amino]hexanoylamino]hexanoate
CID 19939712
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid
CID 107144006
(2S)-2-[(3-amino-2-phenylpropanoyl)amino]hexanoic acid
CID 107147010
(2R)-2-acetamidohexanoate
CID 6995105
N-dodecyl-2,2-diphenylacetamide
CID 5143289
N-butan-2-yl-2,2-diphenylacetamide
CID 3094060
5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide
CID 18357243
1,1'-biphenyl;2-methyloctanoate
CID 22157313
2-phenyloctadecanoate
CID 22742145
(2S)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
CID 86755915
N-(1-hydroxypropan-2-yl)-2,2-diphenylacetamide
CID 78856864

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,2-diphenylacetyl)amino]hexanoate?
The IUPAC name of (2R)-2-[(2,2-diphenylacetyl)amino]hexanoate (CID 7459794) is (2R)-2-[(2,2-diphenylacetyl)amino]hexanoate.
What is the SMILES notation for (2R)-2-[(2,2-diphenylacetyl)amino]hexanoate?
The canonical SMILES for (2R)-2-[(2,2-diphenylacetyl)amino]hexanoate is CCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)[O-].
What is the InChIKey of (2R)-2-[(2,2-diphenylacetyl)amino]hexanoate?
The InChIKey is MMQAONXFYQPOJA-QGZVFWFLSA-M. The full InChI is InChI=1S/C20H23NO3/c1-2-3-14-17(20(23)24)21-19(22)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-18H,2-3,14H2,1H3,(H,21,22)(H,23,24)/p-1/t17-/m1/s1.
What are the key properties of (2R)-2-[(2,2-diphenylacetyl)amino]hexanoate?
(2R)-2-[(2,2-diphenylacetyl)amino]hexanoate has a molecular weight of 324.40 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,2-diphenylacetyl)amino]hexanoate is sourced from PubChem (CID 7459794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).