(2R)-N-(2-amino-2-oxoethyl)-5-(4-bromophenyl)-2-(2-methylpropyl)-4-oxopentanamide

C17H23BrN2O3 — CID 152833510

IUPAC(2R)-N-(2-amino-2-oxoethyl)-5-(4-bromophenyl)-2-(2-methylpropyl)-4-oxopentanamide
SMILESCC(C)C[C@H](CC(=O)Cc1ccc(Br)cc1)C(=O)NCC(N)=O
InChIInChI=1S/C17H23BrN2O3/c1-11(2)7-13(17(23)20-10-16(19)22)9-15(21)8-12-3-5-14(18)6-4-12/h3-6,11,13H,7-10H2,1-2H3,(H2,19,22)(H,20,23)/t13-/m1/s1
InChIKeySWRPMHYUJLLDPX-CYBMUJFWSA-N
MW383.29 g/mol
LogP2.21
Rot. Bonds9

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

(2R)-N-(2-amino-2-oxoethyl)-5-(4-bromophenyl)-2-(2-methylpropyl)-4-oxopentanamide (PubChem CID 152833510) has the molecular formula C17H23BrN2O3 and a molecular weight of 383.29 g/mol. Its IUPAC name is (2R)-N-(2-amino-2-oxoethyl)-5-(4-bromophenyl)-2-(2-methylpropyl)-4-oxopentanamide.

Molecular Properties

Compound Name(2R)-N-(2-amino-2-oxoethyl)-5-(4-bromophenyl)-2-(2-methylpropyl)-4-oxopentanamide
PubChem CID152833510
Molecular FormulaC17H23BrN2O3
Molecular Weight383.29 g/mol
Exact Mass382.09
IUPAC Name(2R)-N-(2-amino-2-oxoethyl)-5-(4-bromophenyl)-2-(2-methylpropyl)-4-oxopentanamide
SMILESCC(C)C[C@H](CC(=O)Cc1ccc(Br)cc1)C(=O)NCC(N)=O
InChIInChI=1S/C17H23BrN2O3/c1-11(2)7-13(17(23)20-10-16(19)22)9-15(21)8-12-3-5-14(18)6-4-12/h3-6,11,13H,7-10H2,1-2H3,(H2,19,22)(H,20,23)/t13-/m1/s1
InChIKeySWRPMHYUJLLDPX-CYBMUJFWSA-N
XLogP2.21
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-5-(4-bromophenyl)-N-(2-diethoxyphosphorylethyl)-2-(2-methylpropyl)-4-oxopentanamide
CID 149001589
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
(2R)-2-benzyl-5-(4-bromophenyl)-4-oxopentanamide
CID 147604512
6-amino-N-(2-amino-2-oxoethyl)-4-methylidene-2-(2-methylpropyl)hexanamide
CID 90253936
2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide
CID 60731482
2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
CID 112995172
(2S)-2-amino-N-[2-(4-bromophenyl)ethyl]-4-methylpentanamide
CID 94721387
(3R)-3-[[2-(4-bromophenyl)acetyl]amino]butanoic acid
CID 93262777
2-(4-bromophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 66816834
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(4-bromophenyl)acetamide
CID 76952762
(2R)-N-[4-[[(4R)-5-amino-4-(naphthalen-2-ylmethyl)-2,5-dioxopentyl]amino]-3,4-dioxobutan-2-yl]-2-(2-methylpropyl)-4-oxo-5-(4-phenylphenyl)pentanamide
CID 157049356

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-amino-2-oxoethyl)-5-(4-bromophenyl)-2-(2-methylpropyl)-4-oxopentanamide?
The IUPAC name of (2R)-N-(2-amino-2-oxoethyl)-5-(4-bromophenyl)-2-(2-methylpropyl)-4-oxopentanamide (CID 152833510) is (2R)-N-(2-amino-2-oxoethyl)-5-(4-bromophenyl)-2-(2-methylpropyl)-4-oxopentanamide.
What is the SMILES notation for (2R)-N-(2-amino-2-oxoethyl)-5-(4-bromophenyl)-2-(2-methylpropyl)-4-oxopentanamide?
The canonical SMILES for (2R)-N-(2-amino-2-oxoethyl)-5-(4-bromophenyl)-2-(2-methylpropyl)-4-oxopentanamide is CC(C)C[C@H](CC(=O)Cc1ccc(Br)cc1)C(=O)NCC(N)=O.
What is the InChIKey of (2R)-N-(2-amino-2-oxoethyl)-5-(4-bromophenyl)-2-(2-methylpropyl)-4-oxopentanamide?
The InChIKey is SWRPMHYUJLLDPX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23BrN2O3/c1-11(2)7-13(17(23)20-10-16(19)22)9-15(21)8-12-3-5-14(18)6-4-12/h3-6,11,13H,7-10H2,1-2H3,(H2,19,22)(H,20,23)/t13-/m1/s1.
What are the key properties of (2R)-N-(2-amino-2-oxoethyl)-5-(4-bromophenyl)-2-(2-methylpropyl)-4-oxopentanamide?
(2R)-N-(2-amino-2-oxoethyl)-5-(4-bromophenyl)-2-(2-methylpropyl)-4-oxopentanamide has a molecular weight of 383.29 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-amino-2-oxoethyl)-5-(4-bromophenyl)-2-(2-methylpropyl)-4-oxopentanamide is sourced from PubChem (CID 152833510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).