(2R)-5-(4-bromophenyl)-N-(2-diethoxyphosphorylethyl)-2-(2-methylpropyl)-4-oxopentanamide

C21H33BrNO5P — CID 149001589

IUPAC(2R)-5-(4-bromophenyl)-N-(2-diethoxyphosphorylethyl)-2-(2-methylpropyl)-4-oxopentanamide
SMILESCCOP(=O)(CCNC(=O)[C@@H](CC(=O)Cc1ccc(Br)cc1)CC(C)C)OCC
InChIInChI=1S/C21H33BrNO5P/c1-5-27-29(26,28-6-2)12-11-23-21(25)18(13-16(3)4)15-20(24)14-17-7-9-19(22)10-8-17/h7-10,16,18H,5-6,11-15H2,1-4H3,(H,23,25)/t18-/m1/s1
InChIKeyPZTKOQQOKVRAJV-GOSISDBHSA-N
MW490.38 g/mol
LogP5.00
Rot. Bonds14

About (2R)-5-(4-bromophenyl)-N-(2-diethoxyphosphorylethyl)-2-(2-methylpropyl)-4-oxopentanamide

(2R)-5-(4-bromophenyl)-N-(2-diethoxyphosphorylethyl)-2-(2-methylpropyl)-4-oxopentanamide (PubChem CID 149001589) has the molecular formula C21H33BrNO5P and a molecular weight of 490.38 g/mol. Its IUPAC name is (2R)-5-(4-bromophenyl)-N-(2-diethoxyphosphorylethyl)-2-(2-methylpropyl)-4-oxopentanamide.

Molecular Properties

Compound Name(2R)-5-(4-bromophenyl)-N-(2-diethoxyphosphorylethyl)-2-(2-methylpropyl)-4-oxopentanamide
PubChem CID149001589
Molecular FormulaC21H33BrNO5P
Molecular Weight490.38 g/mol
Exact Mass489.13
IUPAC Name(2R)-5-(4-bromophenyl)-N-(2-diethoxyphosphorylethyl)-2-(2-methylpropyl)-4-oxopentanamide
SMILESCCOP(=O)(CCNC(=O)[C@@H](CC(=O)Cc1ccc(Br)cc1)CC(C)C)OCC
InChIInChI=1S/C21H33BrNO5P/c1-5-27-29(26,28-6-2)12-11-23-21(25)18(13-16(3)4)15-20(24)14-17-7-9-19(22)10-8-17/h7-10,16,18H,5-6,11-15H2,1-4H3,(H,23,25)/t18-/m1/s1
InChIKeyPZTKOQQOKVRAJV-GOSISDBHSA-N
XLogP5.00
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.38
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(2-amino-2-oxoethyl)-5-(4-bromophenyl)-2-(2-methylpropyl)-4-oxopentanamide
CID 152833510
2-[[(2S)-5-(4-bromophenyl)-2-[(2S)-butan-2-yl]-4-oxopentanoyl]amino]acetic acid
CID 148880465
(2S)-5-(4-bromophenyl)-2-[(2S)-butan-2-yl]-4-oxopentanamide
CID 149334203
2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
CID 112995172
(2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide
CID 94721387
2-(4-bromophenyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502206
(2R)-2-benzyl-5-(4-bromophenyl)-4-oxopentanamide
CID 147604512
tert-butyl 9-(4-bromophenyl)-5-(2-methylpropyl)-4,8-dioxononanoate
CID 158405811
2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide
CID 60731482
2-(4-bromophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 66816834
N-(4-bromophenyl)-2-diethoxyphosphorylacetamide
CID 56955833
ethyl (2S)-3-(4-bromophenyl)-2-methylpropanoate
CID 129395857

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(4-bromophenyl)-N-(2-diethoxyphosphorylethyl)-2-(2-methylpropyl)-4-oxopentanamide?
The IUPAC name of (2R)-5-(4-bromophenyl)-N-(2-diethoxyphosphorylethyl)-2-(2-methylpropyl)-4-oxopentanamide (CID 149001589) is (2R)-5-(4-bromophenyl)-N-(2-diethoxyphosphorylethyl)-2-(2-methylpropyl)-4-oxopentanamide.
What is the SMILES notation for (2R)-5-(4-bromophenyl)-N-(2-diethoxyphosphorylethyl)-2-(2-methylpropyl)-4-oxopentanamide?
The canonical SMILES for (2R)-5-(4-bromophenyl)-N-(2-diethoxyphosphorylethyl)-2-(2-methylpropyl)-4-oxopentanamide is CCOP(=O)(CCNC(=O)[C@@H](CC(=O)Cc1ccc(Br)cc1)CC(C)C)OCC.
What is the InChIKey of (2R)-5-(4-bromophenyl)-N-(2-diethoxyphosphorylethyl)-2-(2-methylpropyl)-4-oxopentanamide?
The InChIKey is PZTKOQQOKVRAJV-GOSISDBHSA-N. The full InChI is InChI=1S/C21H33BrNO5P/c1-5-27-29(26,28-6-2)12-11-23-21(25)18(13-16(3)4)15-20(24)14-17-7-9-19(22)10-8-17/h7-10,16,18H,5-6,11-15H2,1-4H3,(H,23,25)/t18-/m1/s1.
What are the key properties of (2R)-5-(4-bromophenyl)-N-(2-diethoxyphosphorylethyl)-2-(2-methylpropyl)-4-oxopentanamide?
(2R)-5-(4-bromophenyl)-N-(2-diethoxyphosphorylethyl)-2-(2-methylpropyl)-4-oxopentanamide has a molecular weight of 490.38 g/mol, XLogP of 5.00, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(4-bromophenyl)-N-(2-diethoxyphosphorylethyl)-2-(2-methylpropyl)-4-oxopentanamide is sourced from PubChem (CID 149001589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).