2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;but-2-enedioic acid

C21H24N2O5 — CID 3088651

IUPAC2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;but-2-enedioic acid
SMILESCC(Cc1ccccc1)(NC(=O)CN)c1ccccc1.O=C(O)C=CC(=O)O
InChIInChI=1S/C17H20N2O.C4H4O4/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14;5-3(6)1-2-4(7)8/h2-11H,12-13,18H2,1H3,(H,19,20);1-2H,(H,5,6)(H,7,8)
InChIKeyRHRGTPCMGDATRY-UHFFFAOYSA-N
MW384.43 g/mol
LogP1.93
Rot. Bonds7

About 2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;but-2-enedioic acid

2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;but-2-enedioic acid (PubChem CID 3088651) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;but-2-enedioic acid.

Molecular Properties

Compound Name2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;but-2-enedioic acid
PubChem CID3088651
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;but-2-enedioic acid
SMILESCC(Cc1ccccc1)(NC(=O)CN)c1ccccc1.O=C(O)C=CC(=O)O
InChIInChI=1S/C17H20N2O.C4H4O4/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14;5-3(6)1-2-4(7)8/h2-11H,12-13,18H2,1H3,(H,19,20);1-2H,(H,5,6)(H,7,8)
InChIKeyRHRGTPCMGDATRY-UHFFFAOYSA-N
XLogP1.93
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]acetamide;but-2-enedioic acid
CID 67712356
2-amino-N-[(2R)-1,2-diphenylpropan-2-yl]acetamide;hydrochloride
CID 76971010
2-amino-N-[1-(3-cyanophenyl)-2-phenylpropan-2-yl]acetamide;but-2-enedioic acid
CID 67712194
2-amino-N-[2-(3-methoxyphenyl)-1-phenylpropan-2-yl]acetamide
CID 15115342
2-amino-N-[1-(3-cyanophenyl)-2-phenylpropan-2-yl]acetamide
CID 15115334
(2S)-2-[(2-aminoacetyl)amino]-N-(1,2-diphenylpropan-2-yl)propanamide
CID 18635159
2-amino-N-[2-(2-methylphenyl)-1-phenylpropan-2-yl]acetamide
CID 15115321
N-(1,2-diphenylpropan-2-yl)hexanamide
CID 139775131
(Z)-but-2-enedioic acid;1,2-diphenylpropan-2-amine
CID 70041111
(Z)-but-2-enedioic acid;2-(dimethylamino)-N-(1,1,1-trifluoro-2,3-diphenylpropan-2-yl)acetamide
CID 70393278
N-(1,2-diphenylpropan-2-yl)pyrrolidine-1-carboxamide
CID 67926030
2-amino-N-[1,2-bis(4-fluorophenyl)propan-2-yl]acetamide;2-amino-N-(1,2-diphenylbutan-2-yl)acetamide;2-amino-N-(1,2-diphenylethyl)acetamide
CID 158363790

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;but-2-enedioic acid?
The IUPAC name of 2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;but-2-enedioic acid (CID 3088651) is 2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;but-2-enedioic acid.
What is the SMILES notation for 2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;but-2-enedioic acid?
The canonical SMILES for 2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;but-2-enedioic acid is CC(Cc1ccccc1)(NC(=O)CN)c1ccccc1.O=C(O)C=CC(=O)O.
What is the InChIKey of 2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;but-2-enedioic acid?
The InChIKey is RHRGTPCMGDATRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.C4H4O4/c1-17(19-16(20)13-18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14;5-3(6)1-2-4(7)8/h2-11H,12-13,18H2,1H3,(H,19,20);1-2H,(H,5,6)(H,7,8).
What are the key properties of 2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;but-2-enedioic acid?
2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;but-2-enedioic acid has a molecular weight of 384.43 g/mol, XLogP of 1.93, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,2-diphenylpropan-2-yl)acetamide;but-2-enedioic acid is sourced from PubChem (CID 3088651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).